USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.788 (180deg=0.743) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -1.03 (180deg=-3.07!) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0.396 (180deg=0.266) USER MOD Single : A 16 SER OG : rot 180:sc= -0.157 USER MOD Single : A 19 ASN : amide:sc= -1.82! C(o=-1.8!,f=-7.1!) USER MOD Single : A 20 THR OG1 : rot -74:sc= 0.52 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -173:sc= -3.71! (180deg=-3.86!) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00646 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0.871 (180deg=0.537) USER MOD Single : A 40 SER OG : rot 180:sc= -0.499 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -1.65! (180deg=-2.64!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.332) USER MOD Single : A 53 SER OG : rot -166:sc= -4.34! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 97:sc= -0.102 USER MOD Single : A 57 SER OG : rot 170:sc=-9.61e-05 USER MOD Single : A 59 CYS SG : rot 153:sc= -2.56 USER MOD Single : A 60 GLN : amide:sc= -0.405 K(o=-0.41,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= 0 (180deg=-2.71) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00939 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -6.86! C(o=-7.4!,f=-6.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.36 F(o=-1.3,f=-0.36) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0929) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.23) USER MOD Single : A 110 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.45) USER MOD Single : A 111 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.0074) USER MOD Single : A 112 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.7!) USER MOD Single : A 113 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.042 18.179 1.896 1.00 0.00 N ATOM 2 CA MET A 1 -11.421 18.208 0.455 1.00 0.00 C ATOM 3 C MET A 1 -11.499 16.777 -0.079 1.00 0.00 C ATOM 4 O MET A 1 -12.413 16.421 -0.797 1.00 0.00 O ATOM 5 CB MET A 1 -10.368 18.993 -0.333 1.00 0.00 C ATOM 6 CG MET A 1 -10.723 20.481 -0.319 1.00 0.00 C ATOM 7 SD MET A 1 -10.923 21.037 1.392 1.00 0.00 S ATOM 8 CE MET A 1 -12.335 22.135 1.107 1.00 0.00 C ATOM 0 H1 MET A 1 -10.742 19.129 2.195 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.860 17.879 2.464 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.259 17.509 2.036 1.00 0.00 H new ATOM 0 HA MET A 1 -12.392 18.690 0.342 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.382 18.840 0.105 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.321 18.629 -1.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.939 21.057 -0.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.643 20.652 -0.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.633 22.596 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.054 22.912 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.168 21.559 0.705 1.00 0.00 H new ATOM 20 N GLU A 2 -10.548 15.951 0.265 1.00 0.00 N ATOM 21 CA GLU A 2 -10.573 14.543 -0.224 1.00 0.00 C ATOM 22 C GLU A 2 -11.103 13.626 0.884 1.00 0.00 C ATOM 23 O GLU A 2 -11.109 13.995 2.042 1.00 0.00 O ATOM 24 CB GLU A 2 -9.158 14.109 -0.611 1.00 0.00 C ATOM 25 CG GLU A 2 -8.465 15.243 -1.370 1.00 0.00 C ATOM 26 CD GLU A 2 -9.304 15.628 -2.590 1.00 0.00 C ATOM 27 OE1 GLU A 2 -9.994 14.764 -3.106 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.242 16.780 -2.986 1.00 0.00 O ATOM 0 H GLU A 2 -9.756 16.190 0.862 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.224 14.475 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.588 13.853 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.198 13.213 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.336 16.106 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.470 14.929 -1.684 1.00 0.00 H new ATOM 35 N PRO A 3 -11.537 12.454 0.491 1.00 0.00 N ATOM 36 CA PRO A 3 -12.073 11.472 1.425 1.00 0.00 C ATOM 37 C PRO A 3 -11.097 11.245 2.584 1.00 0.00 C ATOM 38 O PRO A 3 -10.158 11.992 2.776 1.00 0.00 O ATOM 39 CB PRO A 3 -12.227 10.201 0.598 1.00 0.00 C ATOM 40 CG PRO A 3 -12.367 10.731 -0.863 1.00 0.00 C ATOM 41 CD PRO A 3 -11.519 12.032 -0.919 1.00 0.00 C ATOM 0 HA PRO A 3 -13.015 11.793 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.363 9.545 0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.103 9.628 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.006 9.996 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.410 10.932 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.507 11.847 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.960 12.781 -1.577 1.00 0.00 H new ATOM 49 N LYS A 4 -11.316 10.216 3.357 1.00 0.00 N ATOM 50 CA LYS A 4 -10.407 9.932 4.502 1.00 0.00 C ATOM 51 C LYS A 4 -9.622 8.648 4.222 1.00 0.00 C ATOM 52 O LYS A 4 -10.069 7.557 4.516 1.00 0.00 O ATOM 53 CB LYS A 4 -11.236 9.759 5.776 1.00 0.00 C ATOM 54 CG LYS A 4 -12.161 8.552 5.619 1.00 0.00 C ATOM 55 CD LYS A 4 -13.605 8.973 5.897 1.00 0.00 C ATOM 56 CE LYS A 4 -14.293 9.336 4.581 1.00 0.00 C ATOM 57 NZ LYS A 4 -15.732 9.633 4.836 1.00 0.00 N ATOM 0 H LYS A 4 -12.088 9.559 3.244 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.711 10.761 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.579 9.619 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.822 10.658 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.078 8.146 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.863 7.761 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.143 8.163 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.622 9.826 6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.807 10.201 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.201 8.514 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.200 9.880 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.192 8.796 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.810 10.431 5.498 1.00 0.00 H new ATOM 71 N ARG A 5 -8.454 8.768 3.651 1.00 0.00 N ATOM 72 CA ARG A 5 -7.643 7.554 3.348 1.00 0.00 C ATOM 73 C ARG A 5 -7.679 6.596 4.541 1.00 0.00 C ATOM 74 O ARG A 5 -7.931 6.993 5.661 1.00 0.00 O ATOM 75 CB ARG A 5 -6.197 7.966 3.069 1.00 0.00 C ATOM 76 CG ARG A 5 -6.155 8.856 1.826 1.00 0.00 C ATOM 77 CD ARG A 5 -5.454 10.172 2.162 1.00 0.00 C ATOM 78 NE ARG A 5 -6.187 11.301 1.525 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.701 11.876 0.460 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.481 12.339 0.470 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.433 11.988 -0.614 1.00 0.00 N ATOM 0 H ARG A 5 -8.026 9.654 3.381 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.057 7.053 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.787 8.500 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.578 7.082 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.628 8.347 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.167 9.051 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.417 10.311 3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.423 10.148 1.809 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.069 11.625 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.909 12.251 1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.099 12.789 -0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.386 11.626 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.052 12.438 -1.446 1.00 0.00 H new ATOM 95 N ILE A 6 -7.430 5.336 4.308 1.00 0.00 N ATOM 96 CA ILE A 6 -7.451 4.350 5.427 1.00 0.00 C ATOM 97 C ILE A 6 -6.174 4.487 6.257 1.00 0.00 C ATOM 98 O ILE A 6 -6.220 4.737 7.445 1.00 0.00 O ATOM 99 CB ILE A 6 -7.540 2.933 4.856 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.861 2.771 4.103 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.479 1.918 6.000 1.00 0.00 C ATOM 102 CD1 ILE A 6 -8.806 1.511 3.239 1.00 0.00 C ATOM 0 H ILE A 6 -7.213 4.946 3.391 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.316 4.542 6.062 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.708 2.762 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.688 2.704 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.045 3.645 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.542 0.908 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.539 2.034 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.312 2.088 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.748 1.396 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.989 1.596 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.642 0.641 3.875 1.00 0.00 H new ATOM 114 N ARG A 7 -5.032 4.321 5.646 1.00 0.00 N ATOM 115 CA ARG A 7 -3.758 4.440 6.411 1.00 0.00 C ATOM 116 C ARG A 7 -2.768 5.314 5.642 1.00 0.00 C ATOM 117 O ARG A 7 -2.274 4.937 4.601 1.00 0.00 O ATOM 118 CB ARG A 7 -3.154 3.055 6.618 1.00 0.00 C ATOM 119 CG ARG A 7 -1.827 3.191 7.354 1.00 0.00 C ATOM 120 CD ARG A 7 -2.071 3.021 8.847 1.00 0.00 C ATOM 121 NE ARG A 7 -2.636 4.281 9.406 1.00 0.00 N ATOM 122 CZ ARG A 7 -3.025 4.327 10.652 1.00 0.00 C ATOM 123 NH1 ARG A 7 -3.349 3.227 11.274 1.00 0.00 N ATOM 124 NH2 ARG A 7 -3.088 5.471 11.273 1.00 0.00 N ATOM 0 H ARG A 7 -4.926 4.109 4.654 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.966 4.897 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.838 2.429 7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.002 2.564 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.121 2.440 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.383 4.166 7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.758 2.193 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.138 2.773 9.353 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.719 5.108 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.298 2.332 10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.653 3.262 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.834 6.330 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.392 5.507 12.246 1.00 0.00 H new ATOM 138 N GLU A 8 -2.465 6.477 6.148 1.00 0.00 N ATOM 139 CA GLU A 8 -1.498 7.360 5.440 1.00 0.00 C ATOM 140 C GLU A 8 -0.284 7.602 6.333 1.00 0.00 C ATOM 141 O GLU A 8 -0.409 7.920 7.499 1.00 0.00 O ATOM 142 CB GLU A 8 -2.158 8.696 5.110 1.00 0.00 C ATOM 143 CG GLU A 8 -2.914 9.213 6.335 1.00 0.00 C ATOM 144 CD GLU A 8 -4.420 9.066 6.106 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.954 9.822 5.312 1.00 0.00 O ATOM 146 OE2 GLU A 8 -5.011 8.200 6.728 1.00 0.00 O ATOM 0 H GLU A 8 -2.844 6.853 7.017 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.184 6.877 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.403 9.420 4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.844 8.577 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.614 8.655 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.663 10.258 6.516 1.00 0.00 H new ATOM 153 N GLY A 9 0.890 7.458 5.791 1.00 0.00 N ATOM 154 CA GLY A 9 2.115 7.681 6.596 1.00 0.00 C ATOM 155 C GLY A 9 3.284 7.954 5.653 1.00 0.00 C ATOM 156 O GLY A 9 3.121 8.521 4.592 1.00 0.00 O ATOM 0 H GLY A 9 1.053 7.194 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.973 8.523 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.325 6.807 7.213 1.00 0.00 H new ATOM 160 N TYR A 10 4.460 7.552 6.030 1.00 0.00 N ATOM 161 CA TYR A 10 5.643 7.789 5.158 1.00 0.00 C ATOM 162 C TYR A 10 6.576 6.577 5.206 1.00 0.00 C ATOM 163 O TYR A 10 7.401 6.452 6.088 1.00 0.00 O ATOM 164 CB TYR A 10 6.396 9.026 5.649 1.00 0.00 C ATOM 165 CG TYR A 10 6.814 8.824 7.085 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.846 8.801 8.098 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.168 8.662 7.406 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.232 8.615 9.432 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.555 8.477 8.740 1.00 0.00 C ATOM 170 CZ TYR A 10 7.586 8.453 9.753 1.00 0.00 C ATOM 171 OH TYR A 10 7.968 8.271 11.067 1.00 0.00 O ATOM 0 H TYR A 10 4.656 7.068 6.906 1.00 0.00 H new ATOM 0 HA TYR A 10 5.307 7.944 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.272 9.203 5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.762 9.908 5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.802 8.927 7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.914 8.680 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.486 8.597 10.213 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.599 8.353 8.988 1.00 0.00 H new ATOM 0 HH TYR A 10 8.942 8.174 11.114 1.00 0.00 H new ATOM 181 N LEU A 11 6.466 5.693 4.252 1.00 0.00 N ATOM 182 CA LEU A 11 7.365 4.504 4.235 1.00 0.00 C ATOM 183 C LEU A 11 8.140 4.502 2.920 1.00 0.00 C ATOM 184 O LEU A 11 7.927 5.339 2.072 1.00 0.00 O ATOM 185 CB LEU A 11 6.554 3.203 4.346 1.00 0.00 C ATOM 186 CG LEU A 11 5.411 3.353 5.359 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.875 4.166 6.570 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.231 4.053 4.686 1.00 0.00 C ATOM 0 H LEU A 11 5.795 5.742 3.486 1.00 0.00 H new ATOM 0 HA LEU A 11 8.045 4.559 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.147 2.939 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.209 2.386 4.650 1.00 0.00 H new ATOM 0 HG LEU A 11 5.105 2.365 5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.053 4.264 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.711 3.658 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.192 5.156 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.416 4.162 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.542 5.038 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.891 3.459 3.837 1.00 0.00 H new ATOM 200 N VAL A 12 9.038 3.576 2.739 1.00 0.00 N ATOM 201 CA VAL A 12 9.816 3.544 1.468 1.00 0.00 C ATOM 202 C VAL A 12 9.271 2.438 0.561 1.00 0.00 C ATOM 203 O VAL A 12 8.804 1.417 1.023 1.00 0.00 O ATOM 204 CB VAL A 12 11.291 3.283 1.782 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.403 2.140 2.791 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.030 2.904 0.496 1.00 0.00 C ATOM 0 H VAL A 12 9.267 2.843 3.411 1.00 0.00 H new ATOM 0 HA VAL A 12 9.722 4.502 0.957 1.00 0.00 H new ATOM 0 HB VAL A 12 11.737 4.184 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.453 1.954 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.879 2.411 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.956 1.239 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.080 2.718 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.585 2.004 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.952 3.720 -0.223 1.00 0.00 H new ATOM 216 N LYS A 13 9.323 2.637 -0.730 1.00 0.00 N ATOM 217 CA LYS A 13 8.806 1.601 -1.669 1.00 0.00 C ATOM 218 C LYS A 13 9.945 1.108 -2.565 1.00 0.00 C ATOM 219 O LYS A 13 11.071 1.551 -2.455 1.00 0.00 O ATOM 220 CB LYS A 13 7.703 2.207 -2.539 1.00 0.00 C ATOM 221 CG LYS A 13 6.367 2.140 -1.794 1.00 0.00 C ATOM 222 CD LYS A 13 5.657 0.830 -2.137 1.00 0.00 C ATOM 223 CE LYS A 13 4.396 0.694 -1.284 1.00 0.00 C ATOM 224 NZ LYS A 13 3.895 -0.708 -1.358 1.00 0.00 N ATOM 0 H LYS A 13 9.702 3.474 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 13 8.403 0.764 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.944 3.242 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.632 1.667 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.534 2.205 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.741 2.988 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.397 0.812 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.323 -0.014 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.613 0.960 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.630 1.384 -1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.368 -0.934 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.268 -0.809 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.700 -1.360 -1.454 1.00 0.00 H new ATOM 238 N LYS A 14 9.661 0.189 -3.449 1.00 0.00 N ATOM 239 CA LYS A 14 10.727 -0.335 -4.350 1.00 0.00 C ATOM 240 C LYS A 14 10.209 -0.375 -5.790 1.00 0.00 C ATOM 241 O LYS A 14 10.086 -1.427 -6.385 1.00 0.00 O ATOM 242 CB LYS A 14 11.110 -1.751 -3.913 1.00 0.00 C ATOM 243 CG LYS A 14 12.172 -2.312 -4.860 1.00 0.00 C ATOM 244 CD LYS A 14 11.650 -3.593 -5.512 1.00 0.00 C ATOM 245 CE LYS A 14 12.605 -4.022 -6.627 1.00 0.00 C ATOM 246 NZ LYS A 14 12.530 -5.500 -6.807 1.00 0.00 N ATOM 0 H LYS A 14 8.737 -0.221 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 14 11.599 0.316 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.490 -1.737 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.230 -2.394 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.417 -1.576 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.091 -2.519 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.564 -4.384 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.652 -3.427 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.344 -3.518 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.625 -3.727 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.941 -5.759 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.061 -5.970 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.536 -5.804 -6.774 1.00 0.00 H new ATOM 260 N GLY A 15 9.907 0.761 -6.358 1.00 0.00 N ATOM 261 CA GLY A 15 9.399 0.778 -7.760 1.00 0.00 C ATOM 262 C GLY A 15 9.649 2.154 -8.379 1.00 0.00 C ATOM 263 O GLY A 15 9.346 3.174 -7.792 1.00 0.00 O ATOM 0 H GLY A 15 9.990 1.675 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.898 0.007 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.333 0.550 -7.774 1.00 0.00 H new ATOM 267 N SER A 16 10.198 2.191 -9.564 1.00 0.00 N ATOM 268 CA SER A 16 10.465 3.501 -10.221 1.00 0.00 C ATOM 269 C SER A 16 11.336 3.281 -11.461 1.00 0.00 C ATOM 270 O SER A 16 10.841 3.058 -12.547 1.00 0.00 O ATOM 271 CB SER A 16 11.194 4.422 -9.243 1.00 0.00 C ATOM 272 OG SER A 16 11.725 5.534 -9.952 1.00 0.00 O ATOM 0 H SER A 16 10.473 1.370 -10.104 1.00 0.00 H new ATOM 0 HA SER A 16 9.521 3.959 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.508 4.764 -8.468 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.996 3.879 -8.743 1.00 0.00 H new ATOM 0 HG SER A 16 12.192 6.128 -9.327 1.00 0.00 H new ATOM 278 N VAL A 17 12.631 3.342 -11.306 1.00 0.00 N ATOM 279 CA VAL A 17 13.531 3.135 -12.476 1.00 0.00 C ATOM 280 C VAL A 17 14.087 1.709 -12.445 1.00 0.00 C ATOM 281 O VAL A 17 14.362 1.117 -13.470 1.00 0.00 O ATOM 282 CB VAL A 17 14.688 4.134 -12.414 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.376 4.037 -11.051 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.697 3.810 -13.519 1.00 0.00 C ATOM 0 H VAL A 17 13.104 3.526 -10.421 1.00 0.00 H new ATOM 0 HA VAL A 17 12.969 3.287 -13.398 1.00 0.00 H new ATOM 0 HB VAL A 17 14.304 5.145 -12.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.200 4.749 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.658 4.265 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.761 3.027 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.523 4.520 -13.477 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.080 2.799 -13.377 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.207 3.879 -14.490 1.00 0.00 H new ATOM 294 N PHE A 18 14.257 1.154 -11.276 1.00 0.00 N ATOM 295 CA PHE A 18 14.794 -0.232 -11.179 1.00 0.00 C ATOM 296 C PHE A 18 14.771 -0.686 -9.720 1.00 0.00 C ATOM 297 O PHE A 18 14.413 0.063 -8.832 1.00 0.00 O ATOM 298 CB PHE A 18 16.234 -0.258 -11.696 1.00 0.00 C ATOM 299 CG PHE A 18 16.240 -0.646 -13.154 1.00 0.00 C ATOM 300 CD1 PHE A 18 15.765 -1.906 -13.546 1.00 0.00 C ATOM 301 CD2 PHE A 18 16.720 0.251 -14.115 1.00 0.00 C ATOM 302 CE1 PHE A 18 15.772 -2.266 -14.900 1.00 0.00 C ATOM 303 CE2 PHE A 18 16.728 -0.108 -15.470 1.00 0.00 C ATOM 304 CZ PHE A 18 16.253 -1.368 -15.861 1.00 0.00 C ATOM 0 H PHE A 18 14.047 1.601 -10.384 1.00 0.00 H new ATOM 0 HA PHE A 18 14.179 -0.902 -11.779 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.695 0.721 -11.568 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.826 -0.967 -11.118 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.394 -2.598 -12.805 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.085 1.221 -13.812 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.406 -3.236 -15.203 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.099 0.584 -16.211 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.258 -1.646 -16.905 1.00 0.00 H new ATOM 314 N ASN A 19 15.150 -1.908 -9.462 1.00 0.00 N ATOM 315 CA ASN A 19 15.150 -2.406 -8.058 1.00 0.00 C ATOM 316 C ASN A 19 15.783 -1.355 -7.144 1.00 0.00 C ATOM 317 O ASN A 19 16.988 -1.211 -7.090 1.00 0.00 O ATOM 318 CB ASN A 19 15.955 -3.705 -7.976 1.00 0.00 C ATOM 319 CG ASN A 19 17.404 -3.435 -8.385 1.00 0.00 C ATOM 320 OD1 ASN A 19 17.662 -2.618 -9.248 1.00 0.00 O ATOM 321 ND2 ASN A 19 18.370 -4.090 -7.800 1.00 0.00 N ATOM 0 H ASN A 19 15.459 -2.582 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 19 14.125 -2.594 -7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.921 -4.103 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.516 -4.459 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.339 -3.916 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.156 -4.776 -7.076 1.00 0.00 H new ATOM 328 N THR A 20 14.980 -0.617 -6.427 1.00 0.00 N ATOM 329 CA THR A 20 15.540 0.424 -5.520 1.00 0.00 C ATOM 330 C THR A 20 14.708 0.490 -4.236 1.00 0.00 C ATOM 331 O THR A 20 13.785 -0.275 -4.041 1.00 0.00 O ATOM 332 CB THR A 20 15.505 1.785 -6.219 1.00 0.00 C ATOM 333 OG1 THR A 20 14.189 2.039 -6.693 1.00 0.00 O ATOM 334 CG2 THR A 20 16.482 1.783 -7.396 1.00 0.00 C ATOM 0 H THR A 20 13.963 -0.690 -6.430 1.00 0.00 H new ATOM 0 HA THR A 20 16.570 0.168 -5.272 1.00 0.00 H new ATOM 0 HB THR A 20 15.794 2.563 -5.513 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.014 1.487 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.456 2.753 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.491 1.589 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.197 1.005 -8.104 1.00 0.00 H new ATOM 342 N TRP A 21 15.033 1.402 -3.360 1.00 0.00 N ATOM 343 CA TRP A 21 14.268 1.525 -2.086 1.00 0.00 C ATOM 344 C TRP A 21 14.420 2.951 -1.544 1.00 0.00 C ATOM 345 O TRP A 21 15.457 3.319 -1.031 1.00 0.00 O ATOM 346 CB TRP A 21 14.822 0.525 -1.065 1.00 0.00 C ATOM 347 CG TRP A 21 14.237 -0.828 -1.321 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.747 -1.751 -2.172 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.044 -1.427 -0.737 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.940 -2.873 -2.149 1.00 0.00 N ATOM 351 CE2 TRP A 21 12.879 -2.722 -1.282 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.097 -0.976 0.203 1.00 0.00 C ATOM 353 CZ2 TRP A 21 11.812 -3.539 -0.907 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.024 -1.798 0.581 1.00 0.00 C ATOM 355 CH2 TRP A 21 10.882 -3.076 0.025 1.00 0.00 C ATOM 0 H TRP A 21 15.797 2.069 -3.472 1.00 0.00 H new ATOM 0 HA TRP A 21 13.214 1.314 -2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 21 15.909 0.482 -1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.581 0.851 -0.053 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.638 -1.630 -2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.109 -3.711 -2.706 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.197 0.008 0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.706 -4.525 -1.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.304 -1.444 1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.053 -3.703 0.318 1.00 0.00 H new ATOM 366 N LYS A 22 13.397 3.759 -1.659 1.00 0.00 N ATOM 367 CA LYS A 22 13.500 5.162 -1.153 1.00 0.00 C ATOM 368 C LYS A 22 12.202 5.540 -0.421 1.00 0.00 C ATOM 369 O LYS A 22 11.123 5.266 -0.907 1.00 0.00 O ATOM 370 CB LYS A 22 13.716 6.129 -2.326 1.00 0.00 C ATOM 371 CG LYS A 22 14.196 5.363 -3.564 1.00 0.00 C ATOM 372 CD LYS A 22 14.377 6.338 -4.729 1.00 0.00 C ATOM 373 CE LYS A 22 15.869 6.546 -4.990 1.00 0.00 C ATOM 374 NZ LYS A 22 16.154 8.004 -5.108 1.00 0.00 N ATOM 0 H LYS A 22 12.501 3.511 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 22 14.345 5.231 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.787 6.652 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.450 6.887 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.137 4.857 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.473 4.592 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.891 5.948 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.901 7.291 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.455 6.115 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.164 6.032 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.169 8.146 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.605 8.402 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.887 8.483 -4.224 1.00 0.00 H new ATOM 388 N PRO A 23 12.343 6.161 0.728 1.00 0.00 N ATOM 389 CA PRO A 23 11.195 6.577 1.527 1.00 0.00 C ATOM 390 C PRO A 23 10.211 7.383 0.672 1.00 0.00 C ATOM 391 O PRO A 23 10.524 7.805 -0.423 1.00 0.00 O ATOM 392 CB PRO A 23 11.791 7.452 2.626 1.00 0.00 C ATOM 393 CG PRO A 23 13.264 6.946 2.737 1.00 0.00 C ATOM 394 CD PRO A 23 13.658 6.485 1.307 1.00 0.00 C ATOM 0 HA PRO A 23 10.638 5.730 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.749 8.509 2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.254 7.335 3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.925 7.738 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.343 6.125 3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.169 7.270 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.323 5.621 1.323 1.00 0.00 H new ATOM 402 N MET A 24 9.021 7.599 1.167 1.00 0.00 N ATOM 403 CA MET A 24 8.016 8.374 0.390 1.00 0.00 C ATOM 404 C MET A 24 6.701 8.440 1.168 1.00 0.00 C ATOM 405 O MET A 24 6.479 7.692 2.103 1.00 0.00 O ATOM 406 CB MET A 24 7.764 7.684 -0.949 1.00 0.00 C ATOM 407 CG MET A 24 7.009 6.375 -0.720 1.00 0.00 C ATOM 408 SD MET A 24 7.224 5.294 -2.155 1.00 0.00 S ATOM 409 CE MET A 24 5.882 5.979 -3.157 1.00 0.00 C ATOM 0 H MET A 24 8.703 7.270 2.079 1.00 0.00 H new ATOM 0 HA MET A 24 8.395 9.382 0.223 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.187 8.338 -1.603 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.711 7.486 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.379 5.882 0.179 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.950 6.577 -0.559 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.750 5.371 -4.052 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.959 5.978 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.128 7.001 -3.445 1.00 0.00 H new ATOM 419 N TRP A 25 5.818 9.317 0.774 1.00 0.00 N ATOM 420 CA TRP A 25 4.509 9.420 1.472 1.00 0.00 C ATOM 421 C TRP A 25 3.530 8.483 0.784 1.00 0.00 C ATOM 422 O TRP A 25 3.592 8.278 -0.411 1.00 0.00 O ATOM 423 CB TRP A 25 3.993 10.858 1.396 1.00 0.00 C ATOM 424 CG TRP A 25 2.763 10.998 2.238 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.499 11.091 1.760 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.657 11.064 3.689 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.625 11.212 2.828 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.292 11.201 4.039 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.608 11.020 4.726 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.885 11.293 5.372 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.204 11.110 6.068 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.845 11.246 6.390 1.00 0.00 C ATOM 0 H TRP A 25 5.949 9.966 -0.002 1.00 0.00 H new ATOM 0 HA TRP A 25 4.618 9.145 2.521 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.762 11.549 1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.769 11.120 0.362 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.219 11.074 0.717 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.387 11.299 2.733 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.656 10.916 4.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.162 11.400 5.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.942 11.074 6.855 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.539 11.314 7.424 1.00 0.00 H new ATOM 443 N VAL A 26 2.645 7.886 1.522 1.00 0.00 N ATOM 444 CA VAL A 26 1.699 6.942 0.882 1.00 0.00 C ATOM 445 C VAL A 26 0.372 6.901 1.649 1.00 0.00 C ATOM 446 O VAL A 26 0.340 6.831 2.862 1.00 0.00 O ATOM 447 CB VAL A 26 2.360 5.563 0.855 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.129 5.342 2.153 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.302 4.467 0.679 1.00 0.00 C ATOM 0 H VAL A 26 2.536 8.008 2.529 1.00 0.00 H new ATOM 0 HA VAL A 26 1.471 7.266 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 26 3.050 5.516 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.600 4.359 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.896 6.110 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.442 5.399 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.788 3.492 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.596 4.506 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.769 4.623 -0.259 1.00 0.00 H new ATOM 459 N VAL A 27 -0.724 6.937 0.935 1.00 0.00 N ATOM 460 CA VAL A 27 -2.060 6.893 1.597 1.00 0.00 C ATOM 461 C VAL A 27 -2.872 5.744 0.998 1.00 0.00 C ATOM 462 O VAL A 27 -3.389 5.842 -0.096 1.00 0.00 O ATOM 463 CB VAL A 27 -2.801 8.210 1.355 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.170 9.318 2.200 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.699 8.587 -0.125 1.00 0.00 C ATOM 0 H VAL A 27 -0.750 6.995 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.931 6.743 2.669 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.848 8.090 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.699 10.255 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.237 9.054 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.123 9.436 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.226 9.525 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.651 8.704 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.147 7.801 -0.732 1.00 0.00 H new ATOM 475 N LEU A 28 -2.987 4.651 1.698 1.00 0.00 N ATOM 476 CA LEU A 28 -3.762 3.504 1.152 1.00 0.00 C ATOM 477 C LEU A 28 -5.256 3.713 1.409 1.00 0.00 C ATOM 478 O LEU A 28 -5.705 3.762 2.537 1.00 0.00 O ATOM 479 CB LEU A 28 -3.306 2.205 1.816 1.00 0.00 C ATOM 480 CG LEU A 28 -3.200 2.393 3.331 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.074 1.351 4.032 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.741 2.203 3.755 1.00 0.00 C ATOM 0 H LEU A 28 -2.579 4.503 2.621 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.588 3.440 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.012 1.406 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.340 1.901 1.412 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.537 3.393 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.001 1.482 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.111 1.477 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.734 0.351 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.655 2.335 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.411 1.200 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.116 2.939 3.249 1.00 0.00 H new ATOM 494 N LEU A 29 -6.028 3.824 0.360 1.00 0.00 N ATOM 495 CA LEU A 29 -7.495 4.017 0.524 1.00 0.00 C ATOM 496 C LEU A 29 -8.209 2.705 0.186 1.00 0.00 C ATOM 497 O LEU A 29 -7.625 1.800 -0.377 1.00 0.00 O ATOM 498 CB LEU A 29 -7.974 5.124 -0.419 1.00 0.00 C ATOM 499 CG LEU A 29 -7.092 6.368 -0.249 1.00 0.00 C ATOM 500 CD1 LEU A 29 -6.148 6.489 -1.443 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.977 7.614 -0.183 1.00 0.00 C ATOM 0 H LEU A 29 -5.702 3.789 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.719 4.303 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.935 4.777 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.014 5.372 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.513 6.278 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.521 7.373 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.518 5.602 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.731 6.579 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.352 8.499 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.553 7.700 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.658 7.532 0.664 1.00 0.00 H new ATOM 513 N GLU A 30 -9.462 2.590 0.528 1.00 0.00 N ATOM 514 CA GLU A 30 -10.203 1.331 0.227 1.00 0.00 C ATOM 515 C GLU A 30 -10.520 1.273 -1.262 1.00 0.00 C ATOM 516 O GLU A 30 -10.818 0.226 -1.803 1.00 0.00 O ATOM 517 CB GLU A 30 -11.507 1.301 1.028 1.00 0.00 C ATOM 518 CG GLU A 30 -11.454 0.165 2.052 1.00 0.00 C ATOM 519 CD GLU A 30 -12.666 -0.748 1.866 1.00 0.00 C ATOM 520 OE1 GLU A 30 -12.671 -1.506 0.909 1.00 0.00 O ATOM 521 OE2 GLU A 30 -13.571 -0.673 2.681 1.00 0.00 O ATOM 0 H GLU A 30 -10.005 3.311 1.002 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.589 0.474 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.656 2.254 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.355 1.160 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.534 -0.406 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.445 0.573 3.063 1.00 0.00 H new ATOM 528 N ASP A 31 -10.449 2.384 -1.936 1.00 0.00 N ATOM 529 CA ASP A 31 -10.740 2.379 -3.395 1.00 0.00 C ATOM 530 C ASP A 31 -9.422 2.305 -4.167 1.00 0.00 C ATOM 531 O ASP A 31 -9.388 2.439 -5.375 1.00 0.00 O ATOM 532 CB ASP A 31 -11.487 3.659 -3.777 1.00 0.00 C ATOM 533 CG ASP A 31 -10.535 4.851 -3.677 1.00 0.00 C ATOM 534 OD1 ASP A 31 -9.687 4.982 -4.544 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.670 5.614 -2.734 1.00 0.00 O ATOM 0 H ASP A 31 -10.203 3.292 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.360 1.517 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.878 3.576 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.342 3.805 -3.116 1.00 0.00 H new ATOM 540 N GLY A 32 -8.333 2.090 -3.477 1.00 0.00 N ATOM 541 CA GLY A 32 -7.015 2.005 -4.166 1.00 0.00 C ATOM 542 C GLY A 32 -5.962 2.729 -3.329 1.00 0.00 C ATOM 543 O GLY A 32 -6.265 3.646 -2.594 1.00 0.00 O ATOM 0 H GLY A 32 -8.301 1.970 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.731 0.962 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.080 2.453 -5.157 1.00 0.00 H new ATOM 547 N ILE A 33 -4.726 2.325 -3.431 1.00 0.00 N ATOM 548 CA ILE A 33 -3.660 2.995 -2.637 1.00 0.00 C ATOM 549 C ILE A 33 -2.887 3.969 -3.531 1.00 0.00 C ATOM 550 O ILE A 33 -2.263 3.580 -4.497 1.00 0.00 O ATOM 551 CB ILE A 33 -2.698 1.943 -2.080 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.389 1.170 -0.952 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.447 2.632 -1.530 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.913 -0.162 -1.490 1.00 0.00 C ATOM 0 H ILE A 33 -4.409 1.562 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.116 3.544 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.413 1.255 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.688 0.994 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.211 1.758 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.763 1.882 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.955 3.185 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.731 3.320 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.404 -0.711 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.628 0.025 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.081 -0.751 -1.876 1.00 0.00 H new ATOM 566 N GLU A 34 -2.914 5.231 -3.205 1.00 0.00 N ATOM 567 CA GLU A 34 -2.170 6.231 -4.021 1.00 0.00 C ATOM 568 C GLU A 34 -1.111 6.881 -3.136 1.00 0.00 C ATOM 569 O GLU A 34 -1.421 7.531 -2.156 1.00 0.00 O ATOM 570 CB GLU A 34 -3.131 7.302 -4.549 1.00 0.00 C ATOM 571 CG GLU A 34 -3.964 7.865 -3.396 1.00 0.00 C ATOM 572 CD GLU A 34 -5.123 8.688 -3.957 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.421 8.533 -5.130 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.695 9.460 -3.205 1.00 0.00 O ATOM 0 H GLU A 34 -3.420 5.614 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.700 5.738 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.569 8.103 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.786 6.874 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.347 7.052 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.341 8.486 -2.753 1.00 0.00 H new ATOM 581 N PHE A 35 0.140 6.696 -3.452 1.00 0.00 N ATOM 582 CA PHE A 35 1.205 7.292 -2.602 1.00 0.00 C ATOM 583 C PHE A 35 2.007 8.329 -3.392 1.00 0.00 C ATOM 584 O PHE A 35 2.151 8.240 -4.595 1.00 0.00 O ATOM 585 CB PHE A 35 2.132 6.180 -2.104 1.00 0.00 C ATOM 586 CG PHE A 35 2.429 5.203 -3.215 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.144 5.618 -4.347 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.992 3.875 -3.112 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.423 4.707 -5.374 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.271 2.965 -4.139 1.00 0.00 C ATOM 591 CZ PHE A 35 2.985 3.380 -5.270 1.00 0.00 C ATOM 0 H PHE A 35 0.469 6.162 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 35 0.744 7.794 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.062 6.612 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.667 5.658 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.480 6.641 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.440 3.554 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.975 5.027 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.935 1.942 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.198 2.677 -6.062 1.00 0.00 H new ATOM 601 N TYR A 36 2.531 9.315 -2.711 1.00 0.00 N ATOM 602 CA TYR A 36 3.330 10.367 -3.397 1.00 0.00 C ATOM 603 C TYR A 36 4.669 10.520 -2.673 1.00 0.00 C ATOM 604 O TYR A 36 5.148 9.606 -2.032 1.00 0.00 O ATOM 605 CB TYR A 36 2.588 11.710 -3.349 1.00 0.00 C ATOM 606 CG TYR A 36 1.092 11.495 -3.407 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.424 10.877 -2.341 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.370 11.926 -4.528 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.963 10.688 -2.399 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.016 11.737 -4.586 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.682 11.118 -3.523 1.00 0.00 C ATOM 612 OH TYR A 36 -3.049 10.932 -3.580 1.00 0.00 O ATOM 0 H TYR A 36 2.438 9.435 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 36 3.486 10.078 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.849 12.243 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.903 12.336 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.978 10.547 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.884 12.405 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.478 10.211 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.571 12.069 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.393 11.288 -4.426 1.00 0.00 H new ATOM 622 N LYS A 37 5.267 11.677 -2.755 1.00 0.00 N ATOM 623 CA LYS A 37 6.564 11.898 -2.056 1.00 0.00 C ATOM 624 C LYS A 37 6.282 12.546 -0.699 1.00 0.00 C ATOM 625 O LYS A 37 6.871 12.197 0.305 1.00 0.00 O ATOM 626 CB LYS A 37 7.447 12.826 -2.893 1.00 0.00 C ATOM 627 CG LYS A 37 8.720 12.086 -3.307 1.00 0.00 C ATOM 628 CD LYS A 37 9.876 13.082 -3.408 1.00 0.00 C ATOM 629 CE LYS A 37 10.482 13.021 -4.812 1.00 0.00 C ATOM 630 NZ LYS A 37 11.639 12.083 -4.811 1.00 0.00 N ATOM 0 H LYS A 37 4.913 12.479 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 37 7.079 10.948 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.905 13.161 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.702 13.717 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.956 11.310 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.569 11.588 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.520 14.091 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.636 12.850 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.732 12.690 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.805 14.014 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.052 12.040 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.357 12.418 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.317 11.135 -4.531 1.00 0.00 H new ATOM 644 N LYS A 38 5.371 13.482 -0.665 1.00 0.00 N ATOM 645 CA LYS A 38 5.027 14.152 0.621 1.00 0.00 C ATOM 646 C LYS A 38 3.573 13.825 0.966 1.00 0.00 C ATOM 647 O LYS A 38 2.945 13.016 0.314 1.00 0.00 O ATOM 648 CB LYS A 38 5.192 15.666 0.473 1.00 0.00 C ATOM 649 CG LYS A 38 6.680 16.016 0.438 1.00 0.00 C ATOM 650 CD LYS A 38 6.850 17.534 0.511 1.00 0.00 C ATOM 651 CE LYS A 38 8.051 17.953 -0.338 1.00 0.00 C ATOM 652 NZ LYS A 38 9.047 18.652 0.522 1.00 0.00 N ATOM 0 H LYS A 38 4.849 13.812 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 38 5.687 13.800 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.706 16.008 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.706 16.178 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.196 15.541 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.133 15.632 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.947 18.030 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.996 17.845 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.506 17.077 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.728 18.609 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.864 18.937 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.610 19.496 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.363 18.011 1.278 1.00 0.00 H new ATOM 666 N LYS A 39 3.027 14.441 1.978 1.00 0.00 N ATOM 667 CA LYS A 39 1.612 14.145 2.340 1.00 0.00 C ATOM 668 C LYS A 39 0.759 14.117 1.067 1.00 0.00 C ATOM 669 O LYS A 39 -0.269 13.470 1.012 1.00 0.00 O ATOM 670 CB LYS A 39 1.087 15.212 3.307 1.00 0.00 C ATOM 671 CG LYS A 39 -0.418 15.032 3.517 1.00 0.00 C ATOM 672 CD LYS A 39 -0.670 14.013 4.620 1.00 0.00 C ATOM 673 CE LYS A 39 0.182 14.361 5.837 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.336 13.641 7.035 1.00 0.00 N ATOM 0 H LYS A 39 3.495 15.131 2.566 1.00 0.00 H new ATOM 0 HA LYS A 39 1.556 13.173 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.607 15.137 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.291 16.206 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.874 15.986 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.886 14.701 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.726 14.008 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.427 13.011 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.221 14.086 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.163 15.437 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.029 14.094 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.375 13.677 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.024 12.649 7.006 1.00 0.00 H new ATOM 688 N SER A 40 1.180 14.804 0.039 1.00 0.00 N ATOM 689 CA SER A 40 0.395 14.804 -1.228 1.00 0.00 C ATOM 690 C SER A 40 1.323 15.109 -2.407 1.00 0.00 C ATOM 691 O SER A 40 1.291 14.443 -3.423 1.00 0.00 O ATOM 692 CB SER A 40 -0.697 15.870 -1.153 1.00 0.00 C ATOM 693 OG SER A 40 -1.160 15.973 0.187 1.00 0.00 O ATOM 0 H SER A 40 2.032 15.364 0.022 1.00 0.00 H new ATOM 0 HA SER A 40 -0.062 13.824 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.308 16.831 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.522 15.610 -1.816 1.00 0.00 H new ATOM 0 HG SER A 40 -1.860 16.657 0.240 1.00 0.00 H new ATOM 699 N ASP A 41 2.148 16.115 -2.281 1.00 0.00 N ATOM 700 CA ASP A 41 3.076 16.470 -3.389 1.00 0.00 C ATOM 701 C ASP A 41 2.268 16.857 -4.631 1.00 0.00 C ATOM 702 O ASP A 41 2.798 16.995 -5.716 1.00 0.00 O ATOM 703 CB ASP A 41 3.970 15.264 -3.685 1.00 0.00 C ATOM 704 CG ASP A 41 4.680 15.448 -5.027 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.416 16.412 -5.158 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.476 14.621 -5.901 1.00 0.00 O ATOM 0 H ASP A 41 2.217 16.707 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 41 3.698 17.319 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.706 15.144 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.370 14.354 -3.705 1.00 0.00 H new ATOM 711 N ASN A 42 0.984 17.038 -4.480 1.00 0.00 N ATOM 712 CA ASN A 42 0.141 17.414 -5.647 1.00 0.00 C ATOM 713 C ASN A 42 0.537 16.573 -6.865 1.00 0.00 C ATOM 714 O ASN A 42 0.300 16.954 -7.993 1.00 0.00 O ATOM 715 CB ASN A 42 0.342 18.897 -5.967 1.00 0.00 C ATOM 716 CG ASN A 42 -0.982 19.642 -5.788 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.205 20.275 -4.776 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.878 19.593 -6.737 1.00 0.00 N ATOM 0 H ASN A 42 0.483 16.941 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.906 17.231 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.102 19.322 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.702 19.014 -6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.764 20.086 -6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.692 19.062 -7.587 1.00 0.00 H new ATOM 725 N SER A 43 1.141 15.431 -6.652 1.00 0.00 N ATOM 726 CA SER A 43 1.543 14.585 -7.811 1.00 0.00 C ATOM 727 C SER A 43 1.839 13.155 -7.332 1.00 0.00 C ATOM 728 O SER A 43 2.809 12.931 -6.635 1.00 0.00 O ATOM 729 CB SER A 43 2.799 15.174 -8.455 1.00 0.00 C ATOM 730 OG SER A 43 2.869 14.759 -9.813 1.00 0.00 O ATOM 0 H SER A 43 1.371 15.052 -5.733 1.00 0.00 H new ATOM 0 HA SER A 43 0.732 14.561 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.776 16.262 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.687 14.844 -7.916 1.00 0.00 H new ATOM 0 HG SER A 43 3.672 15.136 -10.229 1.00 0.00 H new ATOM 736 N PRO A 44 0.994 12.226 -7.719 1.00 0.00 N ATOM 737 CA PRO A 44 1.157 10.831 -7.337 1.00 0.00 C ATOM 738 C PRO A 44 2.330 10.205 -8.081 1.00 0.00 C ATOM 739 O PRO A 44 2.479 10.351 -9.278 1.00 0.00 O ATOM 740 CB PRO A 44 -0.156 10.167 -7.735 1.00 0.00 C ATOM 741 CG PRO A 44 -0.690 11.076 -8.885 1.00 0.00 C ATOM 742 CD PRO A 44 -0.177 12.509 -8.563 1.00 0.00 C ATOM 0 HA PRO A 44 1.371 10.713 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.001 9.142 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.854 10.125 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.323 10.737 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.779 11.051 -8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.092 13.059 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.925 13.103 -8.038 1.00 0.00 H new ATOM 750 N LYS A 45 3.163 9.506 -7.369 1.00 0.00 N ATOM 751 CA LYS A 45 4.333 8.858 -8.005 1.00 0.00 C ATOM 752 C LYS A 45 3.925 7.454 -8.471 1.00 0.00 C ATOM 753 O LYS A 45 4.522 6.886 -9.365 1.00 0.00 O ATOM 754 CB LYS A 45 5.474 8.796 -6.971 1.00 0.00 C ATOM 755 CG LYS A 45 6.247 7.482 -7.086 1.00 0.00 C ATOM 756 CD LYS A 45 7.705 7.710 -6.680 1.00 0.00 C ATOM 757 CE LYS A 45 8.438 6.368 -6.628 1.00 0.00 C ATOM 758 NZ LYS A 45 9.820 6.538 -7.160 1.00 0.00 N ATOM 0 H LYS A 45 3.081 9.356 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 45 4.677 9.422 -8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.152 9.636 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.064 8.894 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.794 6.724 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.197 7.107 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.192 8.375 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.750 8.199 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.474 6.000 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.899 5.624 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.419 5.756 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.795 6.536 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.212 7.441 -6.825 1.00 0.00 H new ATOM 772 N GLY A 46 2.906 6.894 -7.875 1.00 0.00 N ATOM 773 CA GLY A 46 2.458 5.534 -8.285 1.00 0.00 C ATOM 774 C GLY A 46 1.280 5.095 -7.413 1.00 0.00 C ATOM 775 O GLY A 46 1.148 5.508 -6.276 1.00 0.00 O ATOM 0 H GLY A 46 2.366 7.321 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.164 5.538 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.280 4.825 -8.187 1.00 0.00 H new ATOM 779 N MET A 47 0.422 4.260 -7.934 1.00 0.00 N ATOM 780 CA MET A 47 -0.746 3.796 -7.133 1.00 0.00 C ATOM 781 C MET A 47 -0.953 2.297 -7.343 1.00 0.00 C ATOM 782 O MET A 47 -0.911 1.800 -8.451 1.00 0.00 O ATOM 783 CB MET A 47 -2.007 4.540 -7.576 1.00 0.00 C ATOM 784 CG MET A 47 -1.696 6.030 -7.718 1.00 0.00 C ATOM 785 SD MET A 47 -2.959 6.817 -8.747 1.00 0.00 S ATOM 786 CE MET A 47 -1.893 7.216 -10.153 1.00 0.00 C ATOM 0 H MET A 47 0.480 3.880 -8.879 1.00 0.00 H new ATOM 0 HA MET A 47 -0.554 3.996 -6.079 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.364 4.140 -8.525 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.804 4.392 -6.848 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.667 6.501 -6.736 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.711 6.165 -8.165 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.479 7.718 -10.923 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.088 7.873 -9.824 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.469 6.298 -10.560 1.00 0.00 H new ATOM 796 N ILE A 48 -1.191 1.576 -6.284 1.00 0.00 N ATOM 797 CA ILE A 48 -1.419 0.108 -6.414 1.00 0.00 C ATOM 798 C ILE A 48 -2.922 -0.161 -6.316 1.00 0.00 C ATOM 799 O ILE A 48 -3.592 0.422 -5.488 1.00 0.00 O ATOM 800 CB ILE A 48 -0.702 -0.649 -5.285 1.00 0.00 C ATOM 801 CG1 ILE A 48 0.114 0.321 -4.422 1.00 0.00 C ATOM 802 CG2 ILE A 48 0.238 -1.693 -5.889 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.844 -0.460 -3.330 1.00 0.00 C ATOM 0 H ILE A 48 -1.238 1.939 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.027 -0.234 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.451 -1.136 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.832 0.859 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.543 1.067 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.747 -2.230 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.338 -2.397 -6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.976 -1.197 -6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.424 0.229 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.117 -0.978 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.513 -1.188 -3.789 1.00 0.00 H new ATOM 815 N PRO A 49 -3.416 -1.031 -7.157 1.00 0.00 N ATOM 816 CA PRO A 49 -4.829 -1.367 -7.157 1.00 0.00 C ATOM 817 C PRO A 49 -5.168 -2.187 -5.909 1.00 0.00 C ATOM 818 O PRO A 49 -4.935 -3.378 -5.852 1.00 0.00 O ATOM 819 CB PRO A 49 -5.025 -2.193 -8.425 1.00 0.00 C ATOM 820 CG PRO A 49 -3.609 -2.787 -8.697 1.00 0.00 C ATOM 821 CD PRO A 49 -2.599 -1.734 -8.156 1.00 0.00 C ATOM 0 HA PRO A 49 -5.476 -0.490 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.768 -2.977 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.368 -1.577 -9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.483 -3.745 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.457 -2.964 -9.762 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.719 -2.200 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.244 -1.065 -8.940 1.00 0.00 H new ATOM 829 N LEU A 50 -5.707 -1.554 -4.901 1.00 0.00 N ATOM 830 CA LEU A 50 -6.051 -2.286 -3.646 1.00 0.00 C ATOM 831 C LEU A 50 -7.183 -3.291 -3.902 1.00 0.00 C ATOM 832 O LEU A 50 -7.554 -4.051 -3.030 1.00 0.00 O ATOM 833 CB LEU A 50 -6.447 -1.268 -2.555 1.00 0.00 C ATOM 834 CG LEU A 50 -7.958 -0.969 -2.554 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.494 -0.834 -3.978 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.703 -2.094 -1.837 1.00 0.00 C ATOM 0 H LEU A 50 -5.925 -0.558 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.183 -2.849 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.155 -1.654 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.896 -0.341 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.118 -0.025 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.563 -0.623 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.978 -0.019 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.324 -1.764 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.772 -1.881 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.521 -3.037 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.348 -2.168 -0.809 1.00 0.00 H new ATOM 848 N LYS A 51 -7.729 -3.307 -5.087 1.00 0.00 N ATOM 849 CA LYS A 51 -8.833 -4.264 -5.385 1.00 0.00 C ATOM 850 C LYS A 51 -8.266 -5.623 -5.815 1.00 0.00 C ATOM 851 O LYS A 51 -8.693 -6.193 -6.799 1.00 0.00 O ATOM 852 CB LYS A 51 -9.693 -3.701 -6.519 1.00 0.00 C ATOM 853 CG LYS A 51 -8.842 -3.562 -7.785 1.00 0.00 C ATOM 854 CD LYS A 51 -9.729 -3.130 -8.954 1.00 0.00 C ATOM 855 CE LYS A 51 -9.975 -4.322 -9.881 1.00 0.00 C ATOM 856 NZ LYS A 51 -8.778 -4.539 -10.742 1.00 0.00 N ATOM 0 H LYS A 51 -7.459 -2.700 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.433 -4.400 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.541 -4.360 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.100 -2.731 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.051 -2.829 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.356 -4.510 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.678 -2.745 -8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.252 -2.320 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.180 -5.217 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.853 -4.139 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.772 -5.520 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.810 -3.887 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.916 -4.362 -10.188 1.00 0.00 H new ATOM 870 N GLY A 52 -7.320 -6.164 -5.088 1.00 0.00 N ATOM 871 CA GLY A 52 -6.770 -7.495 -5.483 1.00 0.00 C ATOM 872 C GLY A 52 -5.312 -7.641 -5.029 1.00 0.00 C ATOM 873 O GLY A 52 -4.811 -8.739 -4.889 1.00 0.00 O ATOM 0 H GLY A 52 -6.911 -5.749 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.374 -8.288 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.832 -7.612 -6.565 1.00 0.00 H new ATOM 877 N SER A 53 -4.626 -6.554 -4.806 1.00 0.00 N ATOM 878 CA SER A 53 -3.201 -6.648 -4.369 1.00 0.00 C ATOM 879 C SER A 53 -3.052 -7.750 -3.319 1.00 0.00 C ATOM 880 O SER A 53 -3.936 -7.992 -2.522 1.00 0.00 O ATOM 881 CB SER A 53 -2.758 -5.306 -3.775 1.00 0.00 C ATOM 882 OG SER A 53 -2.172 -5.516 -2.497 1.00 0.00 O ATOM 0 H SER A 53 -4.988 -5.606 -4.907 1.00 0.00 H new ATOM 0 HA SER A 53 -2.576 -6.888 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.041 -4.823 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.614 -4.636 -3.688 1.00 0.00 H new ATOM 0 HG SER A 53 -2.094 -4.659 -2.028 1.00 0.00 H new ATOM 888 N THR A 54 -1.929 -8.411 -3.315 1.00 0.00 N ATOM 889 CA THR A 54 -1.700 -9.492 -2.322 1.00 0.00 C ATOM 890 C THR A 54 -0.735 -8.970 -1.259 1.00 0.00 C ATOM 891 O THR A 54 -0.053 -7.994 -1.469 1.00 0.00 O ATOM 892 CB THR A 54 -1.110 -10.718 -3.045 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.680 -11.903 -2.507 1.00 0.00 O ATOM 894 CG2 THR A 54 0.412 -10.768 -2.887 1.00 0.00 C ATOM 0 H THR A 54 -1.157 -8.247 -3.961 1.00 0.00 H new ATOM 0 HA THR A 54 -2.633 -9.789 -1.843 1.00 0.00 H new ATOM 0 HB THR A 54 -1.344 -10.639 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.307 -12.684 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.803 -11.643 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.852 -9.866 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.666 -10.831 -1.829 1.00 0.00 H new ATOM 902 N LEU A 55 -0.661 -9.609 -0.131 1.00 0.00 N ATOM 903 CA LEU A 55 0.275 -9.131 0.923 1.00 0.00 C ATOM 904 C LEU A 55 1.319 -10.219 1.190 1.00 0.00 C ATOM 905 O LEU A 55 1.036 -11.397 1.091 1.00 0.00 O ATOM 906 CB LEU A 55 -0.520 -8.843 2.203 1.00 0.00 C ATOM 907 CG LEU A 55 0.342 -8.063 3.198 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.401 -8.984 3.805 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.030 -6.901 2.482 1.00 0.00 C ATOM 0 H LEU A 55 -1.204 -10.438 0.109 1.00 0.00 H new ATOM 0 HA LEU A 55 0.777 -8.220 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.416 -8.272 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.850 -9.779 2.653 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.296 -7.676 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.010 -8.421 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.912 -9.809 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.037 -9.379 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.643 -6.347 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.662 -7.289 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.276 -6.237 2.059 1.00 0.00 H new ATOM 921 N THR A 56 2.525 -9.844 1.525 1.00 0.00 N ATOM 922 CA THR A 56 3.573 -10.873 1.790 1.00 0.00 C ATOM 923 C THR A 56 4.568 -10.354 2.831 1.00 0.00 C ATOM 924 O THR A 56 5.097 -9.266 2.714 1.00 0.00 O ATOM 925 CB THR A 56 4.315 -11.192 0.492 1.00 0.00 C ATOM 926 OG1 THR A 56 3.373 -11.505 -0.525 1.00 0.00 O ATOM 927 CG2 THR A 56 5.245 -12.386 0.714 1.00 0.00 C ATOM 0 H THR A 56 2.829 -8.876 1.626 1.00 0.00 H new ATOM 0 HA THR A 56 3.096 -11.776 2.172 1.00 0.00 H new ATOM 0 HB THR A 56 4.905 -10.327 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.198 -10.707 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.774 -12.613 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.967 -12.145 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.658 -13.253 1.018 1.00 0.00 H new ATOM 935 N SER A 57 4.826 -11.131 3.847 1.00 0.00 N ATOM 936 CA SER A 57 5.785 -10.702 4.906 1.00 0.00 C ATOM 937 C SER A 57 6.450 -11.941 5.513 1.00 0.00 C ATOM 938 O SER A 57 5.772 -12.843 5.964 1.00 0.00 O ATOM 939 CB SER A 57 5.023 -9.947 5.996 1.00 0.00 C ATOM 940 OG SER A 57 5.164 -8.547 5.786 1.00 0.00 O ATOM 0 H SER A 57 4.411 -12.052 3.990 1.00 0.00 H new ATOM 0 HA SER A 57 6.547 -10.052 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.969 -10.225 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.407 -10.219 6.979 1.00 0.00 H new ATOM 0 HG SER A 57 4.551 -8.064 6.379 1.00 0.00 H new ATOM 946 N PRO A 58 7.759 -11.939 5.530 1.00 0.00 N ATOM 947 CA PRO A 58 8.563 -10.848 4.986 1.00 0.00 C ATOM 948 C PRO A 58 8.413 -10.765 3.460 1.00 0.00 C ATOM 949 O PRO A 58 7.392 -11.114 2.903 1.00 0.00 O ATOM 950 CB PRO A 58 9.992 -11.217 5.313 1.00 0.00 C ATOM 951 CG PRO A 58 9.863 -12.297 6.433 1.00 0.00 C ATOM 952 CD PRO A 58 8.527 -13.028 6.137 1.00 0.00 C ATOM 0 HA PRO A 58 8.258 -9.887 5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.512 -11.610 4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.558 -10.351 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.704 -12.990 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.851 -11.840 7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.657 -13.872 5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.056 -13.414 7.041 1.00 0.00 H new ATOM 960 N CYS A 59 9.434 -10.302 2.785 1.00 0.00 N ATOM 961 CA CYS A 59 9.358 -10.189 1.302 1.00 0.00 C ATOM 962 C CYS A 59 10.615 -10.796 0.665 1.00 0.00 C ATOM 963 O CYS A 59 11.191 -11.736 1.177 1.00 0.00 O ATOM 964 CB CYS A 59 9.252 -8.714 0.915 1.00 0.00 C ATOM 965 SG CYS A 59 10.784 -7.859 1.364 1.00 0.00 S ATOM 0 H CYS A 59 10.315 -9.998 3.199 1.00 0.00 H new ATOM 0 HA CYS A 59 8.482 -10.729 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.071 -8.620 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.404 -8.254 1.423 1.00 0.00 H new ATOM 0 HG CYS A 59 10.956 -6.837 0.580 1.00 0.00 H new ATOM 971 N GLN A 60 11.040 -10.266 -0.454 1.00 0.00 N ATOM 972 CA GLN A 60 12.253 -10.809 -1.134 1.00 0.00 C ATOM 973 C GLN A 60 13.438 -10.817 -0.168 1.00 0.00 C ATOM 974 O GLN A 60 13.356 -10.321 0.939 1.00 0.00 O ATOM 975 CB GLN A 60 12.592 -9.932 -2.342 1.00 0.00 C ATOM 976 CG GLN A 60 12.434 -10.748 -3.625 1.00 0.00 C ATOM 977 CD GLN A 60 13.688 -10.594 -4.485 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.727 -10.190 -4.000 1.00 0.00 O ATOM 979 NE2 GLN A 60 13.637 -10.900 -5.753 1.00 0.00 N ATOM 0 H GLN A 60 10.597 -9.478 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 60 12.051 -11.829 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.936 -9.062 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.613 -9.559 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.273 -11.799 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.557 -10.410 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.766 -11.239 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.468 -10.800 -6.336 1.00 0.00 H new ATOM 988 N ASP A 61 14.542 -11.378 -0.583 1.00 0.00 N ATOM 989 CA ASP A 61 15.738 -11.423 0.302 1.00 0.00 C ATOM 990 C ASP A 61 16.614 -10.193 0.045 1.00 0.00 C ATOM 991 O ASP A 61 17.689 -10.062 0.596 1.00 0.00 O ATOM 992 CB ASP A 61 16.543 -12.690 0.007 1.00 0.00 C ATOM 993 CG ASP A 61 16.652 -12.883 -1.506 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.781 -11.890 -2.202 1.00 0.00 O ATOM 995 OD2 ASP A 61 16.605 -14.021 -1.943 1.00 0.00 O ATOM 0 H ASP A 61 14.666 -11.808 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 61 15.417 -11.428 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.537 -12.613 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.060 -13.555 0.461 1.00 0.00 H new ATOM 1000 N PHE A 62 16.162 -9.289 -0.781 1.00 0.00 N ATOM 1001 CA PHE A 62 16.977 -8.071 -1.059 1.00 0.00 C ATOM 1002 C PHE A 62 16.631 -6.990 -0.036 1.00 0.00 C ATOM 1003 O PHE A 62 16.433 -5.837 -0.366 1.00 0.00 O ATOM 1004 CB PHE A 62 16.702 -7.563 -2.479 1.00 0.00 C ATOM 1005 CG PHE A 62 15.306 -6.983 -2.597 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.335 -7.216 -1.607 1.00 0.00 C ATOM 1007 CD2 PHE A 62 14.979 -6.217 -3.725 1.00 0.00 C ATOM 1008 CE1 PHE A 62 13.048 -6.681 -1.751 1.00 0.00 C ATOM 1009 CE2 PHE A 62 13.694 -5.683 -3.864 1.00 0.00 C ATOM 1010 CZ PHE A 62 12.729 -5.915 -2.879 1.00 0.00 C ATOM 0 H PHE A 62 15.270 -9.340 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 62 18.036 -8.318 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 62 17.437 -6.803 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 62 16.819 -8.382 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.581 -7.807 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.722 -6.039 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.301 -6.860 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.447 -5.091 -4.733 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.737 -5.503 -2.988 1.00 0.00 H new ATOM 1020 N GLY A 63 16.555 -7.370 1.207 1.00 0.00 N ATOM 1021 CA GLY A 63 16.221 -6.396 2.281 1.00 0.00 C ATOM 1022 C GLY A 63 15.724 -7.167 3.504 1.00 0.00 C ATOM 1023 O GLY A 63 14.806 -6.752 4.184 1.00 0.00 O ATOM 0 H GLY A 63 16.712 -8.325 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.098 -5.803 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.456 -5.701 1.936 1.00 0.00 H new ATOM 1027 N LYS A 64 16.324 -8.294 3.785 1.00 0.00 N ATOM 1028 CA LYS A 64 15.890 -9.104 4.956 1.00 0.00 C ATOM 1029 C LYS A 64 16.267 -8.378 6.247 1.00 0.00 C ATOM 1030 O LYS A 64 17.303 -8.626 6.833 1.00 0.00 O ATOM 1031 CB LYS A 64 16.577 -10.472 4.910 1.00 0.00 C ATOM 1032 CG LYS A 64 16.321 -11.223 6.219 1.00 0.00 C ATOM 1033 CD LYS A 64 15.440 -12.443 5.945 1.00 0.00 C ATOM 1034 CE LYS A 64 14.016 -12.166 6.429 1.00 0.00 C ATOM 1035 NZ LYS A 64 13.241 -11.502 5.344 1.00 0.00 N ATOM 0 H LYS A 64 17.098 -8.688 3.251 1.00 0.00 H new ATOM 0 HA LYS A 64 14.809 -9.242 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.199 -11.051 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.649 -10.346 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.267 -11.536 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.835 -10.565 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.435 -12.669 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.844 -13.318 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.531 -13.099 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.039 -11.531 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.718 -10.693 5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.893 -11.167 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.570 -12.181 4.931 1.00 0.00 H new ATOM 1049 N ARG A 65 15.430 -7.486 6.693 1.00 0.00 N ATOM 1050 CA ARG A 65 15.724 -6.739 7.947 1.00 0.00 C ATOM 1051 C ARG A 65 14.407 -6.419 8.653 1.00 0.00 C ATOM 1052 O ARG A 65 14.316 -5.492 9.432 1.00 0.00 O ATOM 1053 CB ARG A 65 16.453 -5.438 7.610 1.00 0.00 C ATOM 1054 CG ARG A 65 17.513 -5.155 8.676 1.00 0.00 C ATOM 1055 CD ARG A 65 18.903 -5.182 8.036 1.00 0.00 C ATOM 1056 NE ARG A 65 19.639 -3.937 8.394 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.942 -3.947 8.466 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.657 -3.818 7.381 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.531 -4.085 9.622 1.00 0.00 N ATOM 0 H ARG A 65 14.549 -7.240 6.241 1.00 0.00 H new ATOM 0 HA ARG A 65 16.355 -7.344 8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.921 -5.515 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.742 -4.613 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.332 -4.183 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.453 -5.899 9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.456 -6.056 8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.815 -5.266 6.953 1.00 0.00 H new ATOM 0 HE ARG A 65 19.124 -3.077 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.197 -3.709 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.675 -3.826 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.973 -4.185 10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.549 -4.093 9.678 1.00 0.00 H new ATOM 1073 N MET A 66 13.383 -7.181 8.378 1.00 0.00 N ATOM 1074 CA MET A 66 12.066 -6.927 9.023 1.00 0.00 C ATOM 1075 C MET A 66 11.553 -5.548 8.608 1.00 0.00 C ATOM 1076 O MET A 66 12.307 -4.699 8.176 1.00 0.00 O ATOM 1077 CB MET A 66 12.223 -6.976 10.545 1.00 0.00 C ATOM 1078 CG MET A 66 12.624 -8.389 10.974 1.00 0.00 C ATOM 1079 SD MET A 66 12.356 -8.577 12.754 1.00 0.00 S ATOM 1080 CE MET A 66 13.937 -9.367 13.142 1.00 0.00 C ATOM 0 H MET A 66 13.403 -7.970 7.732 1.00 0.00 H new ATOM 0 HA MET A 66 11.355 -7.690 8.707 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.979 -6.259 10.866 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.288 -6.690 11.027 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.037 -9.127 10.427 1.00 0.00 H new ATOM 0 HG3 MET A 66 13.671 -8.571 10.732 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.987 -9.576 14.211 1.00 0.00 H new ATOM 0 HE2 MET A 66 14.024 -10.300 12.585 1.00 0.00 H new ATOM 0 HE3 MET A 66 14.754 -8.701 12.864 1.00 0.00 H new ATOM 1090 N PHE A 67 10.271 -5.323 8.738 1.00 0.00 N ATOM 1091 CA PHE A 67 9.683 -4.000 8.362 1.00 0.00 C ATOM 1092 C PHE A 67 9.426 -3.937 6.850 1.00 0.00 C ATOM 1093 O PHE A 67 8.539 -3.240 6.398 1.00 0.00 O ATOM 1094 CB PHE A 67 10.632 -2.862 8.759 1.00 0.00 C ATOM 1095 CG PHE A 67 11.319 -3.193 10.063 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.566 -3.603 11.170 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.714 -3.091 10.162 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.208 -3.912 12.378 1.00 0.00 C ATOM 1099 CE2 PHE A 67 13.355 -3.398 11.369 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.603 -3.810 12.477 1.00 0.00 C ATOM 0 H PHE A 67 9.600 -6.005 9.092 1.00 0.00 H new ATOM 0 HA PHE A 67 8.738 -3.886 8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.375 -2.707 7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.075 -1.931 8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.492 -3.681 11.094 1.00 0.00 H new ATOM 0 HD2 PHE A 67 13.294 -2.776 9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.628 -4.229 13.232 1.00 0.00 H new ATOM 0 HE2 PHE A 67 14.429 -3.317 11.446 1.00 0.00 H new ATOM 0 HZ PHE A 67 13.098 -4.049 13.407 1.00 0.00 H new ATOM 1110 N VAL A 68 10.192 -4.643 6.058 1.00 0.00 N ATOM 1111 CA VAL A 68 9.975 -4.591 4.584 1.00 0.00 C ATOM 1112 C VAL A 68 9.042 -5.723 4.147 1.00 0.00 C ATOM 1113 O VAL A 68 9.182 -6.857 4.559 1.00 0.00 O ATOM 1114 CB VAL A 68 11.316 -4.719 3.859 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.940 -6.083 4.150 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.092 -4.583 2.356 1.00 0.00 C ATOM 0 H VAL A 68 10.953 -5.249 6.367 1.00 0.00 H new ATOM 0 HA VAL A 68 9.516 -3.636 4.329 1.00 0.00 H new ATOM 0 HB VAL A 68 11.987 -3.934 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.894 -6.165 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.101 -6.188 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.270 -6.871 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.046 -4.674 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.417 -5.369 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.653 -3.609 2.140 1.00 0.00 H new ATOM 1126 N PHE A 69 8.088 -5.416 3.308 1.00 0.00 N ATOM 1127 CA PHE A 69 7.135 -6.463 2.830 1.00 0.00 C ATOM 1128 C PHE A 69 6.976 -6.360 1.306 1.00 0.00 C ATOM 1129 O PHE A 69 7.615 -5.549 0.663 1.00 0.00 O ATOM 1130 CB PHE A 69 5.775 -6.274 3.531 1.00 0.00 C ATOM 1131 CG PHE A 69 4.897 -5.278 2.789 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.466 -4.223 2.058 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.503 -5.416 2.839 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.645 -3.316 1.381 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.682 -4.504 2.161 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.253 -3.456 1.431 1.00 0.00 C ATOM 0 H PHE A 69 7.927 -4.482 2.931 1.00 0.00 H new ATOM 0 HA PHE A 69 7.522 -7.453 3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.262 -7.234 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.936 -5.928 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.540 -4.112 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.061 -6.226 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.085 -2.506 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.608 -4.611 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.620 -2.755 0.906 1.00 0.00 H new ATOM 1146 N LYS A 70 6.120 -7.159 0.722 1.00 0.00 N ATOM 1147 CA LYS A 70 5.928 -7.079 -0.755 1.00 0.00 C ATOM 1148 C LYS A 70 4.496 -7.477 -1.127 1.00 0.00 C ATOM 1149 O LYS A 70 4.062 -8.587 -0.892 1.00 0.00 O ATOM 1150 CB LYS A 70 6.915 -8.008 -1.462 1.00 0.00 C ATOM 1151 CG LYS A 70 6.679 -9.454 -1.024 1.00 0.00 C ATOM 1152 CD LYS A 70 7.774 -10.350 -1.605 1.00 0.00 C ATOM 1153 CE LYS A 70 7.183 -11.716 -1.956 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.618 -12.108 -3.326 1.00 0.00 N ATOM 0 H LYS A 70 5.551 -7.857 1.200 1.00 0.00 H new ATOM 0 HA LYS A 70 6.107 -6.052 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.797 -7.923 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.937 -7.711 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.680 -9.520 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.700 -9.792 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.203 -9.888 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.584 -10.467 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.509 -12.462 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.095 -11.677 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.216 -13.037 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.286 -11.400 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.656 -12.161 -3.359 1.00 0.00 H new ATOM 1168 N ILE A 71 3.770 -6.572 -1.723 1.00 0.00 N ATOM 1169 CA ILE A 71 2.371 -6.870 -2.141 1.00 0.00 C ATOM 1170 C ILE A 71 2.384 -7.268 -3.618 1.00 0.00 C ATOM 1171 O ILE A 71 3.328 -7.005 -4.334 1.00 0.00 O ATOM 1172 CB ILE A 71 1.513 -5.606 -1.937 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.933 -5.594 -0.519 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.365 -5.557 -2.955 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.559 -4.161 -0.137 1.00 0.00 C ATOM 0 H ILE A 71 4.090 -5.628 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 71 1.953 -7.684 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 71 2.150 -4.734 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.054 -6.237 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.661 -5.992 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.227 -4.657 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.775 -5.544 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.269 -6.435 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.146 -4.149 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.448 -3.531 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.184 -3.780 -0.838 1.00 0.00 H new ATOM 1187 N THR A 72 1.339 -7.889 -4.079 1.00 0.00 N ATOM 1188 CA THR A 72 1.286 -8.293 -5.512 1.00 0.00 C ATOM 1189 C THR A 72 -0.008 -7.766 -6.125 1.00 0.00 C ATOM 1190 O THR A 72 -1.035 -8.414 -6.083 1.00 0.00 O ATOM 1191 CB THR A 72 1.316 -9.818 -5.632 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.486 -10.319 -5.000 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.321 -10.212 -7.111 1.00 0.00 C ATOM 0 H THR A 72 0.517 -8.136 -3.527 1.00 0.00 H new ATOM 0 HA THR A 72 2.148 -7.880 -6.036 1.00 0.00 H new ATOM 0 HB THR A 72 0.435 -10.240 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.505 -11.296 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.342 -11.298 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.422 -9.827 -7.593 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.202 -9.792 -7.597 1.00 0.00 H new ATOM 1201 N THR A 73 0.031 -6.591 -6.687 1.00 0.00 N ATOM 1202 CA THR A 73 -1.204 -6.019 -7.296 1.00 0.00 C ATOM 1203 C THR A 73 -1.930 -7.104 -8.090 1.00 0.00 C ATOM 1204 O THR A 73 -1.318 -7.963 -8.693 1.00 0.00 O ATOM 1205 CB THR A 73 -0.847 -4.857 -8.232 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.570 -5.367 -9.529 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.375 -4.106 -7.703 1.00 0.00 C ATOM 0 H THR A 73 0.861 -6.002 -6.752 1.00 0.00 H new ATOM 0 HA THR A 73 -1.850 -5.648 -6.500 1.00 0.00 H new ATOM 0 HB THR A 73 -1.689 -4.166 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.343 -4.627 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.617 -3.284 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.157 -3.710 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.223 -4.788 -7.643 1.00 0.00 H new ATOM 1215 N THR A 74 -3.233 -7.068 -8.089 1.00 0.00 N ATOM 1216 CA THR A 74 -4.019 -8.091 -8.835 1.00 0.00 C ATOM 1217 C THR A 74 -3.356 -8.371 -10.185 1.00 0.00 C ATOM 1218 O THR A 74 -3.371 -9.483 -10.674 1.00 0.00 O ATOM 1219 CB THR A 74 -5.438 -7.568 -9.064 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.966 -8.132 -10.257 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.413 -6.043 -9.184 1.00 0.00 C ATOM 0 H THR A 74 -3.792 -6.369 -7.600 1.00 0.00 H new ATOM 0 HA THR A 74 -4.055 -9.013 -8.255 1.00 0.00 H new ATOM 0 HB THR A 74 -6.067 -7.851 -8.220 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.876 -7.798 -10.402 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.426 -5.674 -9.347 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.013 -5.612 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.782 -5.754 -10.025 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.773 -7.375 -10.790 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.109 -7.594 -12.105 1.00 0.00 C ATOM 1231 C LYS A 75 -0.903 -8.513 -11.913 1.00 0.00 C ATOM 1232 O LYS A 75 -0.934 -9.677 -12.258 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.642 -6.252 -12.674 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.502 -5.882 -13.883 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.600 -5.405 -15.023 1.00 0.00 C ATOM 1236 CE LYS A 75 -0.697 -6.554 -15.476 1.00 0.00 C ATOM 1237 NZ LYS A 75 0.037 -6.153 -16.710 1.00 0.00 N ATOM 0 H LYS A 75 -2.727 -6.421 -10.432 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.814 -8.054 -12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.715 -5.477 -11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.594 -6.314 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.087 -6.744 -14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.210 -5.099 -13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.206 -5.054 -15.858 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.994 -4.561 -14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.010 -6.808 -14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.294 -7.445 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.651 -6.934 -17.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.645 -5.931 -17.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.618 -5.314 -16.511 1.00 0.00 H new ATOM 1251 N GLN A 76 0.161 -7.997 -11.362 1.00 0.00 N ATOM 1252 CA GLN A 76 1.374 -8.836 -11.142 1.00 0.00 C ATOM 1253 C GLN A 76 2.568 -7.936 -10.815 1.00 0.00 C ATOM 1254 O GLN A 76 3.689 -8.219 -11.190 1.00 0.00 O ATOM 1255 CB GLN A 76 1.677 -9.641 -12.409 1.00 0.00 C ATOM 1256 CG GLN A 76 1.282 -8.823 -13.639 1.00 0.00 C ATOM 1257 CD GLN A 76 2.419 -8.851 -14.663 1.00 0.00 C ATOM 1258 OE1 GLN A 76 2.913 -7.817 -15.067 1.00 0.00 O ATOM 1259 NE2 GLN A 76 2.856 -9.999 -15.103 1.00 0.00 N ATOM 0 H GLN A 76 0.243 -7.028 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 76 1.194 -9.518 -10.311 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.737 -9.890 -12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.129 -10.583 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.372 -9.229 -14.081 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.065 -7.795 -13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.441 -10.867 -14.764 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.613 -10.029 -15.786 1.00 0.00 H new ATOM 1268 N GLN A 77 2.341 -6.857 -10.116 1.00 0.00 N ATOM 1269 CA GLN A 77 3.467 -5.948 -9.768 1.00 0.00 C ATOM 1270 C GLN A 77 3.812 -6.119 -8.288 1.00 0.00 C ATOM 1271 O GLN A 77 2.996 -5.888 -7.419 1.00 0.00 O ATOM 1272 CB GLN A 77 3.059 -4.498 -10.036 1.00 0.00 C ATOM 1273 CG GLN A 77 3.722 -4.013 -11.327 1.00 0.00 C ATOM 1274 CD GLN A 77 5.057 -3.343 -10.996 1.00 0.00 C ATOM 1275 OE1 GLN A 77 5.088 -2.311 -10.355 1.00 0.00 O ATOM 1276 NE2 GLN A 77 6.168 -3.889 -11.407 1.00 0.00 N ATOM 0 H GLN A 77 1.426 -6.567 -9.772 1.00 0.00 H new ATOM 0 HA GLN A 77 4.337 -6.194 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.975 -4.424 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.358 -3.864 -9.201 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.882 -4.853 -12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.068 -3.309 -11.842 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.142 -4.755 -11.945 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.063 -3.450 -11.190 1.00 0.00 H new ATOM 1285 N ASP A 78 5.015 -6.531 -7.996 1.00 0.00 N ATOM 1286 CA ASP A 78 5.410 -6.726 -6.574 1.00 0.00 C ATOM 1287 C ASP A 78 5.844 -5.386 -5.972 1.00 0.00 C ATOM 1288 O ASP A 78 6.933 -4.908 -6.218 1.00 0.00 O ATOM 1289 CB ASP A 78 6.575 -7.716 -6.504 1.00 0.00 C ATOM 1290 CG ASP A 78 6.301 -8.896 -7.438 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.705 -9.860 -6.984 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.692 -8.817 -8.591 1.00 0.00 O ATOM 0 H ASP A 78 5.741 -6.741 -8.681 1.00 0.00 H new ATOM 0 HA ASP A 78 4.562 -7.117 -6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.504 -7.221 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.703 -8.071 -5.481 1.00 0.00 H new ATOM 1297 N HIS A 79 5.002 -4.779 -5.180 1.00 0.00 N ATOM 1298 CA HIS A 79 5.369 -3.475 -4.560 1.00 0.00 C ATOM 1299 C HIS A 79 6.061 -3.733 -3.220 1.00 0.00 C ATOM 1300 O HIS A 79 5.432 -4.084 -2.244 1.00 0.00 O ATOM 1301 CB HIS A 79 4.105 -2.646 -4.330 1.00 0.00 C ATOM 1302 CG HIS A 79 3.597 -2.133 -5.649 1.00 0.00 C ATOM 1303 ND1 HIS A 79 2.916 -2.747 -6.672 1.00 0.00 N flip ATOM 1304 CD2 HIS A 79 3.778 -0.819 -6.049 1.00 0.00 C flip ATOM 1305 CE1 HIS A 79 2.678 -1.830 -7.692 1.00 0.00 C flip ATOM 1306 NE2 HIS A 79 3.218 -0.685 -7.266 1.00 0.00 N flip ATOM 0 H HIS A 79 4.076 -5.130 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 79 6.043 -2.931 -5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.341 -3.254 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.320 -1.812 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.277 -0.044 -5.487 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.167 -2.006 -8.627 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.207 0.185 -7.798 1.00 0.00 H new ATOM 1314 N PHE A 80 7.353 -3.566 -3.168 1.00 0.00 N ATOM 1315 CA PHE A 80 8.082 -3.811 -1.891 1.00 0.00 C ATOM 1316 C PHE A 80 8.245 -2.497 -1.123 1.00 0.00 C ATOM 1317 O PHE A 80 8.891 -1.576 -1.581 1.00 0.00 O ATOM 1318 CB PHE A 80 9.470 -4.387 -2.192 1.00 0.00 C ATOM 1319 CG PHE A 80 9.379 -5.446 -3.264 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.264 -5.079 -4.613 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.417 -6.801 -2.910 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.184 -6.067 -5.604 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.339 -7.789 -3.901 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.222 -7.422 -5.248 1.00 0.00 C ATOM 0 H PHE A 80 7.935 -3.271 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 80 7.511 -4.518 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.139 -3.590 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.898 -4.814 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.237 -4.035 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.507 -7.085 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.093 -5.784 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.369 -8.833 -3.626 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.161 -8.183 -6.012 1.00 0.00 H new ATOM 1334 N PHE A 81 7.682 -2.408 0.053 1.00 0.00 N ATOM 1335 CA PHE A 81 7.828 -1.159 0.855 1.00 0.00 C ATOM 1336 C PHE A 81 8.111 -1.543 2.312 1.00 0.00 C ATOM 1337 O PHE A 81 7.518 -2.458 2.847 1.00 0.00 O ATOM 1338 CB PHE A 81 6.544 -0.294 0.722 1.00 0.00 C ATOM 1339 CG PHE A 81 5.792 -0.169 2.040 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.410 0.412 3.159 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.473 -0.632 2.137 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.712 0.523 4.369 1.00 0.00 C ATOM 1343 CE2 PHE A 81 3.775 -0.519 3.347 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.396 0.057 4.463 1.00 0.00 C ATOM 0 H PHE A 81 7.129 -3.144 0.492 1.00 0.00 H new ATOM 0 HA PHE A 81 8.661 -0.561 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.814 0.700 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.887 -0.735 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.425 0.774 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.993 -1.077 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.190 0.968 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.758 -0.876 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.859 0.141 5.396 1.00 0.00 H new ATOM 1354 N GLN A 82 9.007 -0.849 2.959 1.00 0.00 N ATOM 1355 CA GLN A 82 9.315 -1.177 4.378 1.00 0.00 C ATOM 1356 C GLN A 82 8.973 0.019 5.267 1.00 0.00 C ATOM 1357 O GLN A 82 9.108 1.161 4.870 1.00 0.00 O ATOM 1358 CB GLN A 82 10.803 -1.512 4.518 1.00 0.00 C ATOM 1359 CG GLN A 82 11.643 -0.266 4.228 1.00 0.00 C ATOM 1360 CD GLN A 82 13.014 -0.410 4.890 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.850 -1.159 4.426 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.282 0.281 5.965 1.00 0.00 N ATOM 0 H GLN A 82 9.537 -0.071 2.567 1.00 0.00 H new ATOM 0 HA GLN A 82 8.721 -2.038 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.010 -1.876 5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.072 -2.312 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.759 -0.135 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.137 0.623 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.580 0.910 6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.193 0.192 6.415 1.00 0.00 H new ATOM 1371 N ALA A 83 8.531 -0.236 6.467 1.00 0.00 N ATOM 1372 CA ALA A 83 8.176 0.880 7.388 1.00 0.00 C ATOM 1373 C ALA A 83 9.411 1.286 8.195 1.00 0.00 C ATOM 1374 O ALA A 83 10.532 1.118 7.758 1.00 0.00 O ATOM 1375 CB ALA A 83 7.073 0.417 8.341 1.00 0.00 C ATOM 0 H ALA A 83 8.400 -1.172 6.851 1.00 0.00 H new ATOM 0 HA ALA A 83 7.824 1.734 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.811 1.231 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.194 0.125 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.427 -0.436 8.921 1.00 0.00 H new ATOM 1381 N ALA A 84 9.217 1.822 9.370 1.00 0.00 N ATOM 1382 CA ALA A 84 10.384 2.239 10.199 1.00 0.00 C ATOM 1383 C ALA A 84 10.544 1.283 11.384 1.00 0.00 C ATOM 1384 O ALA A 84 11.459 1.409 12.173 1.00 0.00 O ATOM 1385 CB ALA A 84 10.160 3.662 10.718 1.00 0.00 C ATOM 0 H ALA A 84 8.303 1.989 9.791 1.00 0.00 H new ATOM 0 HA ALA A 84 11.287 2.211 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.013 3.967 11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.052 4.344 9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.255 3.690 11.325 1.00 0.00 H new ATOM 1391 N PHE A 85 9.664 0.329 11.516 1.00 0.00 N ATOM 1392 CA PHE A 85 9.771 -0.632 12.653 1.00 0.00 C ATOM 1393 C PHE A 85 8.800 -1.790 12.425 1.00 0.00 C ATOM 1394 O PHE A 85 7.966 -1.747 11.542 1.00 0.00 O ATOM 1395 CB PHE A 85 9.428 0.063 13.982 1.00 0.00 C ATOM 1396 CG PHE A 85 9.028 1.501 13.742 1.00 0.00 C ATOM 1397 CD1 PHE A 85 7.870 1.791 13.009 1.00 0.00 C ATOM 1398 CD2 PHE A 85 9.815 2.543 14.250 1.00 0.00 C ATOM 1399 CE1 PHE A 85 7.498 3.123 12.785 1.00 0.00 C ATOM 1400 CE2 PHE A 85 9.444 3.875 14.025 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.285 4.165 13.293 1.00 0.00 C ATOM 0 H PHE A 85 8.876 0.172 10.887 1.00 0.00 H new ATOM 0 HA PHE A 85 10.794 -1.004 12.705 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.615 -0.468 14.478 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.288 0.026 14.651 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.264 0.988 12.617 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.708 2.319 14.815 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.605 3.347 12.221 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.051 4.678 14.416 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.998 5.192 13.120 1.00 0.00 H new ATOM 1411 N LEU A 86 8.898 -2.825 13.213 1.00 0.00 N ATOM 1412 CA LEU A 86 7.976 -3.981 13.036 1.00 0.00 C ATOM 1413 C LEU A 86 6.564 -3.573 13.452 1.00 0.00 C ATOM 1414 O LEU A 86 5.587 -4.063 12.926 1.00 0.00 O ATOM 1415 CB LEU A 86 8.444 -5.153 13.901 1.00 0.00 C ATOM 1416 CG LEU A 86 7.355 -6.226 13.937 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.033 -6.678 12.511 1.00 0.00 C ATOM 1418 CD2 LEU A 86 7.846 -7.425 14.749 1.00 0.00 C ATOM 0 H LEU A 86 9.575 -2.920 13.970 1.00 0.00 H new ATOM 0 HA LEU A 86 7.975 -4.285 11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.367 -5.570 13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.664 -4.808 14.911 1.00 0.00 H new ATOM 0 HG LEU A 86 6.458 -5.814 14.400 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.257 -7.443 12.538 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.682 -5.825 11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.930 -7.088 12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.070 -8.190 14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.744 -7.835 14.286 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.075 -7.106 15.766 1.00 0.00 H new ATOM 1430 N GLU A 87 6.446 -2.675 14.392 1.00 0.00 N ATOM 1431 CA GLU A 87 5.090 -2.240 14.827 1.00 0.00 C ATOM 1432 C GLU A 87 4.366 -1.615 13.636 1.00 0.00 C ATOM 1433 O GLU A 87 3.299 -2.048 13.246 1.00 0.00 O ATOM 1434 CB GLU A 87 5.216 -1.212 15.955 1.00 0.00 C ATOM 1435 CG GLU A 87 4.254 -1.578 17.087 1.00 0.00 C ATOM 1436 CD GLU A 87 5.038 -1.755 18.389 1.00 0.00 C ATOM 1437 OE1 GLU A 87 6.060 -1.103 18.535 1.00 0.00 O ATOM 1438 OE2 GLU A 87 4.604 -2.538 19.218 1.00 0.00 O ATOM 0 H GLU A 87 7.225 -2.227 14.874 1.00 0.00 H new ATOM 0 HA GLU A 87 4.525 -3.098 15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.240 -1.188 16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.990 -0.214 15.579 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.503 -0.797 17.206 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.722 -2.498 16.843 1.00 0.00 H new ATOM 1445 N GLU A 88 4.943 -0.606 13.043 1.00 0.00 N ATOM 1446 CA GLU A 88 4.290 0.031 11.869 1.00 0.00 C ATOM 1447 C GLU A 88 4.331 -0.947 10.693 1.00 0.00 C ATOM 1448 O GLU A 88 3.631 -0.787 9.715 1.00 0.00 O ATOM 1449 CB GLU A 88 5.034 1.315 11.497 1.00 0.00 C ATOM 1450 CG GLU A 88 4.029 2.365 11.018 1.00 0.00 C ATOM 1451 CD GLU A 88 4.229 3.659 11.810 1.00 0.00 C ATOM 1452 OE1 GLU A 88 3.708 3.744 12.910 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.902 4.542 11.304 1.00 0.00 O ATOM 0 H GLU A 88 5.835 -0.198 13.321 1.00 0.00 H new ATOM 0 HA GLU A 88 3.256 0.279 12.110 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.586 1.691 12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.764 1.111 10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.163 2.553 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.011 1.998 11.151 1.00 0.00 H new ATOM 1460 N ARG A 89 5.147 -1.963 10.787 1.00 0.00 N ATOM 1461 CA ARG A 89 5.232 -2.957 9.681 1.00 0.00 C ATOM 1462 C ARG A 89 3.930 -3.758 9.618 1.00 0.00 C ATOM 1463 O ARG A 89 3.203 -3.699 8.646 1.00 0.00 O ATOM 1464 CB ARG A 89 6.400 -3.912 9.936 1.00 0.00 C ATOM 1465 CG ARG A 89 6.469 -4.947 8.810 1.00 0.00 C ATOM 1466 CD ARG A 89 6.797 -6.322 9.395 1.00 0.00 C ATOM 1467 NE ARG A 89 6.549 -7.372 8.367 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.157 -8.524 8.449 1.00 0.00 C ATOM 1469 NH1 ARG A 89 8.315 -8.694 7.869 1.00 0.00 N ATOM 1470 NH2 ARG A 89 6.608 -9.506 9.110 1.00 0.00 N ATOM 0 H ARG A 89 5.758 -2.146 11.583 1.00 0.00 H new ATOM 0 HA ARG A 89 5.389 -2.435 8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.335 -3.354 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.272 -4.412 10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.518 -4.984 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.229 -4.659 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.838 -6.353 9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.184 -6.509 10.277 1.00 0.00 H new ATOM 0 HE ARG A 89 5.903 -7.190 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.744 -7.926 7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.790 -9.594 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.704 -9.373 9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.083 -10.406 9.174 1.00 0.00 H new ATOM 1484 N ASP A 90 3.629 -4.507 10.644 1.00 0.00 N ATOM 1485 CA ASP A 90 2.372 -5.310 10.634 1.00 0.00 C ATOM 1486 C ASP A 90 1.165 -4.371 10.691 1.00 0.00 C ATOM 1487 O ASP A 90 0.043 -4.771 10.450 1.00 0.00 O ATOM 1488 CB ASP A 90 2.350 -6.242 11.848 1.00 0.00 C ATOM 1489 CG ASP A 90 2.229 -7.693 11.375 1.00 0.00 C ATOM 1490 OD1 ASP A 90 3.078 -8.118 10.609 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.288 -8.352 11.787 1.00 0.00 O ATOM 0 H ASP A 90 4.197 -4.598 11.486 1.00 0.00 H new ATOM 0 HA ASP A 90 2.329 -5.903 9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.260 -6.114 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.513 -5.989 12.499 1.00 0.00 H new ATOM 1496 N ALA A 91 1.382 -3.123 11.001 1.00 0.00 N ATOM 1497 CA ALA A 91 0.239 -2.169 11.058 1.00 0.00 C ATOM 1498 C ALA A 91 -0.053 -1.663 9.646 1.00 0.00 C ATOM 1499 O ALA A 91 -1.185 -1.413 9.284 1.00 0.00 O ATOM 1500 CB ALA A 91 0.597 -0.987 11.961 1.00 0.00 C ATOM 0 H ALA A 91 2.296 -2.724 11.216 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.640 -2.672 11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.242 -0.292 12.000 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.815 -1.349 12.966 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.473 -0.476 11.562 1.00 0.00 H new ATOM 1506 N TRP A 92 0.966 -1.520 8.846 1.00 0.00 N ATOM 1507 CA TRP A 92 0.768 -1.044 7.453 1.00 0.00 C ATOM 1508 C TRP A 92 0.347 -2.233 6.586 1.00 0.00 C ATOM 1509 O TRP A 92 -0.339 -2.086 5.595 1.00 0.00 O ATOM 1510 CB TRP A 92 2.087 -0.476 6.930 1.00 0.00 C ATOM 1511 CG TRP A 92 2.022 1.017 6.891 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.296 1.833 7.936 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.674 1.886 5.774 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.140 3.146 7.530 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.756 3.231 6.207 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.299 1.640 4.439 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.476 4.294 5.348 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 1.016 2.707 3.571 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.104 4.032 4.026 1.00 0.00 C ATOM 0 H TRP A 92 1.934 -1.715 9.101 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.000 -0.271 7.422 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.909 -0.796 7.570 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.290 -0.865 5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.588 1.511 8.925 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.290 3.953 8.135 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.229 0.624 4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.546 5.312 5.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.729 2.507 2.549 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.884 4.849 3.355 1.00 0.00 H new ATOM 1530 N VAL A 93 0.758 -3.414 6.964 1.00 0.00 N ATOM 1531 CA VAL A 93 0.393 -4.626 6.181 1.00 0.00 C ATOM 1532 C VAL A 93 -1.071 -4.980 6.456 1.00 0.00 C ATOM 1533 O VAL A 93 -1.774 -5.464 5.593 1.00 0.00 O ATOM 1534 CB VAL A 93 1.297 -5.792 6.602 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.745 -5.309 6.690 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.857 -6.318 7.969 1.00 0.00 C ATOM 0 H VAL A 93 1.334 -3.590 7.787 1.00 0.00 H new ATOM 0 HA VAL A 93 0.525 -4.434 5.116 1.00 0.00 H new ATOM 0 HB VAL A 93 1.221 -6.590 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.387 -6.137 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.064 -4.936 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.818 -4.509 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.501 -7.146 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.931 -5.519 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.175 -6.664 7.911 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.535 -4.736 7.653 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.954 -5.055 7.981 1.00 0.00 C ATOM 1548 C ARG A 94 -3.862 -3.950 7.438 1.00 0.00 C ATOM 1549 O ARG A 94 -5.001 -4.185 7.092 1.00 0.00 O ATOM 1550 CB ARG A 94 -3.127 -5.148 9.499 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.115 -6.143 10.070 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.721 -7.548 10.062 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.263 -7.864 11.413 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.389 -9.106 11.792 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -3.522 -10.050 10.900 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -3.383 -9.405 13.063 1.00 0.00 N ATOM 0 H ARG A 94 -0.993 -4.330 8.416 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.221 -6.009 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.984 -4.167 9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -4.141 -5.466 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.200 -6.127 9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.843 -5.858 11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.514 -7.609 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.964 -8.280 9.782 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.536 -7.109 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.527 -9.816 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.621 -11.021 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.280 -8.667 13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.482 -10.376 13.359 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.369 -2.745 7.363 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.209 -1.631 6.844 1.00 0.00 C ATOM 1572 C ASP A 95 -4.338 -1.753 5.326 1.00 0.00 C ATOM 1573 O ASP A 95 -5.422 -1.700 4.782 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.561 -0.294 7.204 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.455 0.448 8.199 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.482 0.958 7.778 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.100 0.496 9.365 1.00 0.00 O ATOM 0 H ASP A 95 -2.422 -2.484 7.638 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.201 -1.682 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.574 -0.460 7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.418 0.308 6.306 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.245 -1.926 4.633 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.323 -2.059 3.151 1.00 0.00 C ATOM 1584 C ILE A 96 -3.915 -3.430 2.807 1.00 0.00 C ATOM 1585 O ILE A 96 -4.669 -3.574 1.865 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.920 -1.924 2.543 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.514 -0.444 2.540 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.928 -2.455 1.107 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.200 -0.255 1.772 1.00 0.00 C ATOM 0 H ILE A 96 -2.306 -1.981 5.027 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.958 -1.273 2.741 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.208 -2.500 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.301 0.155 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.399 -0.089 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.931 -2.358 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.222 -3.505 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.637 -1.881 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.076 0.799 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.587 -0.839 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.328 -0.591 0.743 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.584 -4.437 3.569 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.130 -5.796 3.293 1.00 0.00 C ATOM 1603 C ASN A 97 -5.604 -5.845 3.694 1.00 0.00 C ATOM 1604 O ASN A 97 -6.374 -6.617 3.161 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.347 -6.836 4.096 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.756 -8.240 3.648 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -3.739 -8.537 2.378 1.00 0.00 O flip ATOM 1608 ND2 ASN A 97 -4.097 -9.075 4.463 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.958 -4.377 4.372 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.036 -6.015 2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.276 -6.693 3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.542 -6.711 5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.110 -8.843 5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.370 -10.008 4.154 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.007 -5.024 4.626 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.435 -5.025 5.049 1.00 0.00 C ATOM 1617 C LYS A 98 -8.265 -4.298 3.990 1.00 0.00 C ATOM 1618 O LYS A 98 -9.312 -4.761 3.583 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.576 -4.308 6.394 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.049 -4.289 6.812 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.319 -5.438 7.787 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.591 -4.874 9.183 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.769 -5.566 9.777 1.00 0.00 N ATOM 0 H LYS A 98 -5.410 -4.354 5.111 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.787 -6.051 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.979 -4.814 7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.196 -3.289 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.293 -3.336 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.688 -4.385 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.174 -6.023 7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.463 -6.112 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.716 -5.011 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.777 -3.802 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.954 -5.183 10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.602 -5.414 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.574 -6.585 9.847 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.799 -3.168 3.532 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.554 -2.419 2.490 1.00 0.00 C ATOM 1639 C ALA A 99 -8.697 -3.302 1.248 1.00 0.00 C ATOM 1640 O ALA A 99 -9.691 -3.257 0.552 1.00 0.00 O ATOM 1641 CB ALA A 99 -7.793 -1.143 2.125 1.00 0.00 C ATOM 0 H ALA A 99 -6.928 -2.732 3.835 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.541 -2.153 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.346 -0.595 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.683 -0.519 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.807 -1.405 1.741 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.710 -4.113 0.972 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.789 -5.007 -0.216 1.00 0.00 C ATOM 1649 C ILE A 100 -8.752 -6.157 0.094 1.00 0.00 C ATOM 1650 O ILE A 100 -9.552 -6.548 -0.733 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.387 -5.546 -0.538 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.632 -4.502 -1.363 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.492 -6.844 -1.347 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.310 -4.161 -0.673 1.00 0.00 C ATOM 0 H ILE A 100 -6.853 -4.194 1.519 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.158 -4.458 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.857 -5.749 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.442 -4.884 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.239 -3.603 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.492 -7.216 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.037 -7.590 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.022 -6.650 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.773 -3.417 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.511 -3.761 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.702 -5.062 -0.585 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.694 -6.688 1.283 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.622 -7.796 1.643 1.00 0.00 C ATOM 1668 C LYS A 101 -11.029 -7.226 1.840 1.00 0.00 C ATOM 1669 O LYS A 101 -11.990 -7.951 1.999 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.152 -8.465 2.937 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.926 -9.767 3.151 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.213 -10.911 2.427 1.00 0.00 C ATOM 1673 CE LYS A 101 -9.700 -12.251 2.982 1.00 0.00 C ATOM 1674 NZ LYS A 101 -9.029 -12.522 4.285 1.00 0.00 N ATOM 0 H LYS A 101 -8.047 -6.404 2.019 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.634 -8.537 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.083 -8.670 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.307 -7.795 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.000 -9.987 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.944 -9.663 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.410 -10.856 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.135 -10.822 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.782 -12.230 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.481 -13.051 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.169 -13.519 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.011 -12.326 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.438 -11.910 5.020 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.154 -5.925 1.828 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.492 -5.295 2.010 1.00 0.00 C ATOM 1690 C CYS A 102 -13.103 -4.992 0.641 1.00 0.00 C ATOM 1691 O CYS A 102 -14.283 -5.183 0.422 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.339 -3.993 2.798 1.00 0.00 C ATOM 1693 SG CYS A 102 -12.794 -4.274 4.527 1.00 0.00 S ATOM 0 H CYS A 102 -10.383 -5.270 1.699 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.143 -5.977 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.311 -3.637 2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.972 -3.218 2.366 1.00 0.00 H new ATOM 0 HG CYS A 102 -12.661 -3.167 5.196 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.308 -4.521 -0.284 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.845 -4.209 -1.639 1.00 0.00 C ATOM 1701 C ILE A 103 -13.409 -5.496 -2.256 1.00 0.00 C ATOM 1702 O ILE A 103 -14.477 -5.499 -2.834 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.714 -3.633 -2.514 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -11.716 -2.104 -2.407 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.909 -4.025 -3.984 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -12.957 -1.546 -3.108 1.00 0.00 C ATOM 0 H ILE A 103 -11.312 -4.340 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.642 -3.469 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.766 -4.038 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.710 -1.802 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.814 -1.696 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.099 -3.607 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.904 -5.111 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.862 -3.635 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.959 -0.459 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.943 -1.837 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.853 -1.945 -2.633 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.701 -6.588 -2.137 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.210 -7.863 -2.716 1.00 0.00 C ATOM 1720 C GLU A 104 -14.676 -8.031 -2.330 1.00 0.00 C ATOM 1721 O GLU A 104 -15.447 -8.675 -3.013 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.395 -9.041 -2.174 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.910 -8.672 -2.158 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.075 -9.901 -2.523 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.543 -10.695 -3.321 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -8.981 -10.027 -1.997 1.00 0.00 O ATOM 0 H GLU A 104 -11.798 -6.651 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.115 -7.837 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.728 -9.295 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.555 -9.923 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.717 -7.865 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.626 -8.306 -1.171 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.058 -7.441 -1.239 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.472 -7.535 -0.781 1.00 0.00 C ATOM 1735 C GLY A 105 -17.112 -6.150 -0.841 1.00 0.00 C ATOM 1736 O GLY A 105 -17.466 -5.662 -1.897 1.00 0.00 O ATOM 0 H GLY A 105 -14.447 -6.891 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.025 -8.232 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.512 -7.924 0.237 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.261 -5.513 0.283 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.874 -4.156 0.295 1.00 0.00 C ATOM 1742 C LEU A 106 -19.138 -4.168 -0.561 1.00 0.00 C ATOM 1743 O LEU A 106 -19.212 -3.534 -1.594 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.883 -3.147 -0.278 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.224 -1.741 0.224 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.658 -1.386 -0.174 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.093 -1.698 1.748 1.00 0.00 C ATOM 0 H LEU A 106 -16.985 -5.873 1.197 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.127 -3.877 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.868 -3.412 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.914 -3.171 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.537 -1.022 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -18.898 -0.385 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.752 -1.415 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.347 -2.105 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.336 -0.697 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.779 -2.419 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.071 -1.947 2.032 1.00 0.00 H new ATOM 1759 N GLU A 107 -20.130 -4.890 -0.133 1.00 0.00 N ATOM 1760 CA GLU A 107 -21.399 -4.955 -0.910 1.00 0.00 C ATOM 1761 C GLU A 107 -22.510 -4.264 -0.117 1.00 0.00 C ATOM 1762 O GLU A 107 -23.640 -4.710 -0.096 1.00 0.00 O ATOM 1763 CB GLU A 107 -21.776 -6.418 -1.153 1.00 0.00 C ATOM 1764 CG GLU A 107 -20.509 -7.239 -1.417 1.00 0.00 C ATOM 1765 CD GLU A 107 -20.826 -8.729 -1.267 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -21.631 -9.061 -0.412 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -20.256 -9.513 -2.009 1.00 0.00 O ATOM 0 H GLU A 107 -20.119 -5.441 0.725 1.00 0.00 H new ATOM 0 HA GLU A 107 -21.268 -4.454 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -22.306 -6.816 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -22.454 -6.493 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -20.133 -7.035 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -19.724 -6.951 -0.718 1.00 0.00 H new ATOM 1774 N HIS A 108 -22.195 -3.180 0.535 1.00 0.00 N ATOM 1775 CA HIS A 108 -23.226 -2.457 1.330 1.00 0.00 C ATOM 1776 C HIS A 108 -23.896 -1.397 0.455 1.00 0.00 C ATOM 1777 O HIS A 108 -24.927 -0.854 0.802 1.00 0.00 O ATOM 1778 CB HIS A 108 -22.559 -1.780 2.530 1.00 0.00 C ATOM 1779 CG HIS A 108 -23.424 -1.957 3.749 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -22.898 -2.301 4.984 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -24.778 -1.842 3.935 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -23.924 -2.379 5.852 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -25.093 -2.108 5.265 1.00 0.00 N ATOM 0 H HIS A 108 -21.265 -2.762 0.552 1.00 0.00 H new ATOM 0 HA HIS A 108 -23.977 -3.165 1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -21.574 -2.212 2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -22.410 -0.719 2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.492 -1.584 3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -23.815 -2.630 6.897 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -26.017 -2.098 5.698 1.00 0.00 H new ATOM 1791 N HIS A 109 -23.322 -1.098 -0.677 1.00 0.00 N ATOM 1792 CA HIS A 109 -23.929 -0.073 -1.571 1.00 0.00 C ATOM 1793 C HIS A 109 -24.043 1.254 -0.819 1.00 0.00 C ATOM 1794 O HIS A 109 -25.103 1.626 -0.356 1.00 0.00 O ATOM 1795 CB HIS A 109 -25.322 -0.536 -2.002 1.00 0.00 C ATOM 1796 CG HIS A 109 -25.228 -1.260 -3.317 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -26.082 -2.298 -3.652 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -24.387 -1.104 -4.391 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -25.741 -2.723 -4.882 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -24.713 -2.030 -5.379 1.00 0.00 N ATOM 0 H HIS A 109 -22.459 -1.519 -1.022 1.00 0.00 H new ATOM 0 HA HIS A 109 -23.301 0.061 -2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -25.749 -1.192 -1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -25.989 0.321 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -23.594 -0.374 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -26.238 -3.527 -5.404 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -24.264 -2.153 -6.286 1.00 0.00 H new ATOM 1808 N HIS A 110 -22.961 1.973 -0.691 1.00 0.00 N ATOM 1809 CA HIS A 110 -23.014 3.274 0.034 1.00 0.00 C ATOM 1810 C HIS A 110 -22.469 4.385 -0.865 1.00 0.00 C ATOM 1811 O HIS A 110 -21.376 4.877 -0.668 1.00 0.00 O ATOM 1812 CB HIS A 110 -22.166 3.186 1.305 1.00 0.00 C ATOM 1813 CG HIS A 110 -23.059 3.292 2.510 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -22.622 2.970 3.785 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -24.368 3.682 2.649 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -23.651 3.170 4.628 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -24.740 3.605 3.988 1.00 0.00 N ATOM 0 H HIS A 110 -22.044 1.716 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 110 -24.047 3.497 0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -21.619 2.243 1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -21.425 3.985 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -25.011 4.000 1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -23.603 3.000 5.693 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -25.648 3.832 4.393 1.00 0.00 H new ATOM 1825 N HIS A 111 -23.223 4.787 -1.853 1.00 0.00 N ATOM 1826 CA HIS A 111 -22.747 5.867 -2.761 1.00 0.00 C ATOM 1827 C HIS A 111 -23.517 7.157 -2.466 1.00 0.00 C ATOM 1828 O HIS A 111 -23.042 8.246 -2.719 1.00 0.00 O ATOM 1829 CB HIS A 111 -22.980 5.454 -4.215 1.00 0.00 C ATOM 1830 CG HIS A 111 -21.849 5.959 -5.068 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -22.037 6.908 -6.060 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -20.510 5.656 -5.089 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -20.840 7.141 -6.630 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -19.875 6.404 -6.076 1.00 0.00 N ATOM 0 H HIS A 111 -24.147 4.414 -2.069 1.00 0.00 H new ATOM 0 HA HIS A 111 -21.682 6.034 -2.599 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -23.049 4.369 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -23.927 5.859 -4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -20.023 4.945 -4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -20.680 7.840 -7.438 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -18.885 6.392 -6.323 1.00 0.00 H new ATOM 1842 N HIS A 112 -24.702 7.041 -1.930 1.00 0.00 N ATOM 1843 CA HIS A 112 -25.502 8.260 -1.618 1.00 0.00 C ATOM 1844 C HIS A 112 -26.683 7.880 -0.723 1.00 0.00 C ATOM 1845 O HIS A 112 -27.337 6.878 -0.933 1.00 0.00 O ATOM 1846 CB HIS A 112 -26.025 8.877 -2.918 1.00 0.00 C ATOM 1847 CG HIS A 112 -26.736 7.825 -3.723 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -28.028 7.418 -3.431 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -26.349 7.087 -4.814 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -28.370 6.475 -4.329 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -27.382 6.236 -5.195 1.00 0.00 N ATOM 0 H HIS A 112 -25.150 6.156 -1.695 1.00 0.00 H new ATOM 0 HA HIS A 112 -24.872 8.984 -1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -26.704 9.700 -2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -25.198 9.293 -3.494 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -28.614 7.769 -2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -25.388 7.156 -5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -29.326 5.973 -4.347 1.00 0.00 H new ATOM 1859 N HIS A 113 -26.963 8.674 0.275 1.00 0.00 N ATOM 1860 CA HIS A 113 -28.102 8.357 1.182 1.00 0.00 C ATOM 1861 C HIS A 113 -29.221 9.381 0.972 1.00 0.00 C ATOM 1862 O HIS A 113 -30.323 9.128 1.428 1.00 0.00 O ATOM 1863 CB HIS A 113 -27.628 8.413 2.636 1.00 0.00 C ATOM 1864 CG HIS A 113 -26.793 9.647 2.844 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -25.454 9.583 3.195 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -27.095 10.984 2.755 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -25.003 10.848 3.303 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -25.963 11.739 3.045 1.00 0.00 N ATOM 1869 OXT HIS A 113 -28.955 10.400 0.357 1.00 0.00 O ATOM 0 H HIS A 113 -26.452 9.528 0.501 1.00 0.00 H new ATOM 0 HA HIS A 113 -28.476 7.358 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -28.485 8.423 3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -27.046 7.523 2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -28.063 11.388 2.499 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -23.989 11.109 3.566 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -25.884 12.756 3.058 1.00 0.00 H new TER 1877 HIS A 113