USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 SER OG : rot -69:sc= 1.05 USER MOD Set 1.2: A 83 HIS : +bothHN:sc= -1.31! C(o=0.9!,f=-12!) USER MOD Set 1.3: A 85 TYR OH : rot 2:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.18 (180deg=-0.38) USER MOD Single : A 2 THR OG1 : rot 27:sc= 0.429 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 6 LYS NZ :NH3+ 143:sc= 2.11 (180deg=0.844) USER MOD Single : A 9 SER OG : rot -77:sc= 0.763 USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= -0.0443 (180deg=-0.771!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 25 SER OG : rot 180:sc= -0.164 USER MOD Single : A 35 HIS : +bothHN:sc= -0.516 K(o=-0.52,f=-5.6) USER MOD Single : A 37 SER OG : rot -15:sc= -0.037 USER MOD Single : A 41 GLN : amide:sc= -0.358! C(o=-0.36!,f=-6!) USER MOD Single : A 43 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.86) USER MOD Single : A 45 THR OG1 : rot 82:sc= 0.872 USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= 1.11 (180deg=0.0366) USER MOD Single : A 53 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.65) USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0.844 (180deg=0.766) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -140:sc= 0.873 USER MOD Single : A 108 GLN : amide:sc= 0.507 K(o=0.51,f=-0.097) USER MOD Single : A 112 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.561 -3.197 14.488 1.00 0.00 N ATOM 2 CA MET A 1 7.366 -4.307 13.911 1.00 0.00 C ATOM 3 C MET A 1 8.122 -3.851 12.648 1.00 0.00 C ATOM 4 O MET A 1 9.232 -3.327 12.735 1.00 0.00 O ATOM 5 CB MET A 1 6.461 -5.511 13.592 1.00 0.00 C ATOM 6 CG MET A 1 7.203 -6.727 13.052 1.00 0.00 C ATOM 7 SD MET A 1 6.080 -8.045 12.548 1.00 0.00 S ATOM 8 CE MET A 1 7.238 -9.272 11.941 1.00 0.00 C ATOM 0 H1 MET A 1 5.626 -3.555 14.768 1.00 0.00 H new ATOM 0 H2 MET A 1 7.048 -2.812 15.323 1.00 0.00 H new ATOM 0 H3 MET A 1 6.446 -2.446 13.778 1.00 0.00 H new ATOM 0 HA MET A 1 8.106 -4.609 14.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.926 -5.799 14.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.711 -5.204 12.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.815 -6.428 12.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.883 -7.104 13.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.691 -10.148 11.593 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.813 -8.852 11.116 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.915 -9.562 12.744 1.00 0.00 H new ATOM 20 N THR A 2 7.510 -4.038 11.474 1.00 0.00 N ATOM 21 CA THR A 2 8.142 -3.689 10.189 1.00 0.00 C ATOM 22 C THR A 2 7.108 -3.124 9.208 1.00 0.00 C ATOM 23 O THR A 2 6.118 -3.782 8.893 1.00 0.00 O ATOM 24 CB THR A 2 8.820 -4.919 9.527 1.00 0.00 C ATOM 25 OG1 THR A 2 7.857 -5.962 9.316 1.00 0.00 O ATOM 26 CG2 THR A 2 9.968 -5.457 10.378 1.00 0.00 C ATOM 0 H THR A 2 6.573 -4.431 11.383 1.00 0.00 H new ATOM 0 HA THR A 2 8.900 -2.938 10.410 1.00 0.00 H new ATOM 0 HB THR A 2 9.227 -4.591 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.964 -5.569 9.224 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.417 -6.317 9.881 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.721 -4.679 10.507 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.587 -5.759 11.354 1.00 0.00 H new ATOM 34 N LEU A 3 7.348 -1.913 8.716 1.00 0.00 N ATOM 35 CA LEU A 3 6.396 -1.229 7.832 1.00 0.00 C ATOM 36 C LEU A 3 6.546 -1.666 6.362 1.00 0.00 C ATOM 37 O LEU A 3 7.626 -1.569 5.772 1.00 0.00 O ATOM 38 CB LEU A 3 6.564 0.300 7.940 1.00 0.00 C ATOM 39 CG LEU A 3 6.012 0.960 9.221 1.00 0.00 C ATOM 40 CD1 LEU A 3 4.500 0.769 9.319 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.708 0.418 10.471 1.00 0.00 C ATOM 0 H LEU A 3 8.195 -1.379 8.912 1.00 0.00 H new ATOM 0 HA LEU A 3 5.396 -1.512 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.626 0.534 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.075 0.759 7.081 1.00 0.00 H new ATOM 0 HG LEU A 3 6.221 2.028 9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.132 1.242 10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.019 1.224 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.269 -0.296 9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.296 0.903 11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.547 -0.658 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.777 0.622 10.410 1.00 0.00 H new ATOM 53 N ILE A 4 5.455 -2.164 5.788 1.00 0.00 N ATOM 54 CA ILE A 4 5.373 -2.446 4.351 1.00 0.00 C ATOM 55 C ILE A 4 4.443 -1.423 3.673 1.00 0.00 C ATOM 56 O ILE A 4 3.431 -1.016 4.250 1.00 0.00 O ATOM 57 CB ILE A 4 4.872 -3.888 4.079 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.503 -4.121 4.745 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.898 -4.913 4.569 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.990 -5.541 4.631 1.00 0.00 C ATOM 0 H ILE A 4 4.602 -2.385 6.301 1.00 0.00 H new ATOM 0 HA ILE A 4 6.376 -2.362 3.932 1.00 0.00 H new ATOM 0 HB ILE A 4 4.751 -4.014 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.575 -3.856 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.774 -3.446 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.530 -5.920 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.842 -4.762 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.053 -4.789 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.022 -5.619 5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.882 -5.806 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.696 -6.222 5.106 1.00 0.00 H new ATOM 72 N TYR A 5 4.782 -1.008 2.453 1.00 0.00 N ATOM 73 CA TYR A 5 4.140 0.166 1.839 1.00 0.00 C ATOM 74 C TYR A 5 3.418 -0.141 0.515 1.00 0.00 C ATOM 75 O TYR A 5 3.859 -0.971 -0.286 1.00 0.00 O ATOM 76 CB TYR A 5 5.198 1.248 1.595 1.00 0.00 C ATOM 77 CG TYR A 5 6.061 1.546 2.807 1.00 0.00 C ATOM 78 CD1 TYR A 5 5.656 2.459 3.774 1.00 0.00 C ATOM 79 CD2 TYR A 5 7.287 0.912 2.979 1.00 0.00 C ATOM 80 CE1 TYR A 5 6.445 2.727 4.876 1.00 0.00 C ATOM 81 CE2 TYR A 5 8.080 1.176 4.078 1.00 0.00 C ATOM 82 CZ TYR A 5 7.656 2.086 5.023 1.00 0.00 C ATOM 83 OH TYR A 5 8.447 2.357 6.119 1.00 0.00 O ATOM 0 H TYR A 5 5.489 -1.458 1.871 1.00 0.00 H new ATOM 0 HA TYR A 5 3.376 0.504 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.840 0.936 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.700 2.165 1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.709 2.967 3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.625 0.201 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.114 3.437 5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.028 0.672 4.197 1.00 0.00 H new ATOM 0 HH TYR A 5 9.266 1.821 6.072 1.00 0.00 H new ATOM 93 N LYS A 6 2.296 0.555 0.308 1.00 0.00 N ATOM 94 CA LYS A 6 1.572 0.553 -0.973 1.00 0.00 C ATOM 95 C LYS A 6 0.842 1.896 -1.175 1.00 0.00 C ATOM 96 O LYS A 6 -0.001 2.280 -0.363 1.00 0.00 O ATOM 97 CB LYS A 6 0.568 -0.615 -1.033 1.00 0.00 C ATOM 98 CG LYS A 6 -0.305 -0.620 -2.292 1.00 0.00 C ATOM 99 CD LYS A 6 -1.102 -1.919 -2.440 1.00 0.00 C ATOM 100 CE LYS A 6 -2.095 -1.858 -3.606 1.00 0.00 C ATOM 101 NZ LYS A 6 -2.508 -3.213 -4.068 1.00 0.00 N ATOM 0 H LYS A 6 1.861 1.138 1.023 1.00 0.00 H new ATOM 0 HA LYS A 6 2.297 0.422 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.116 -1.556 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.077 -0.572 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.993 0.224 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.326 -0.481 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.414 -2.750 -2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.642 -2.120 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.977 -1.296 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.644 -1.315 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.512 -3.197 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.934 -3.490 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.366 -3.900 -3.300 1.00 0.00 H new ATOM 115 N ILE A 7 1.178 2.613 -2.251 1.00 0.00 N ATOM 116 CA ILE A 7 0.584 3.933 -2.523 1.00 0.00 C ATOM 117 C ILE A 7 -0.660 3.829 -3.423 1.00 0.00 C ATOM 118 O ILE A 7 -0.630 3.186 -4.473 1.00 0.00 O ATOM 119 CB ILE A 7 1.613 4.885 -3.188 1.00 0.00 C ATOM 120 CG1 ILE A 7 2.859 5.037 -2.296 1.00 0.00 C ATOM 121 CG2 ILE A 7 0.984 6.252 -3.474 1.00 0.00 C ATOM 122 CD1 ILE A 7 3.925 5.945 -2.876 1.00 0.00 C ATOM 0 H ILE A 7 1.856 2.306 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 7 0.283 4.341 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 7 1.919 4.448 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.553 5.427 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.291 4.052 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.724 6.903 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.135 6.128 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.645 6.699 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.769 6.000 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.261 5.546 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.512 6.943 -3.024 1.00 0.00 H new ATOM 134 N LEU A 8 -1.752 4.462 -2.996 1.00 0.00 N ATOM 135 CA LEU A 8 -3.008 4.471 -3.760 1.00 0.00 C ATOM 136 C LEU A 8 -3.427 5.892 -4.145 1.00 0.00 C ATOM 137 O LEU A 8 -2.972 6.869 -3.555 1.00 0.00 O ATOM 138 CB LEU A 8 -4.151 3.840 -2.943 1.00 0.00 C ATOM 139 CG LEU A 8 -4.138 2.311 -2.836 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.075 1.692 -4.224 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.986 1.825 -1.964 1.00 0.00 C ATOM 0 H LEU A 8 -1.796 4.980 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.825 3.891 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.122 4.255 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.099 4.145 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.063 1.992 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.066 0.605 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.946 2.003 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.168 2.023 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.006 0.737 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.040 2.149 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.088 2.241 -0.962 1.00 0.00 H new ATOM 153 N SER A 9 -4.307 6.000 -5.137 1.00 0.00 N ATOM 154 CA SER A 9 -5.003 7.263 -5.397 1.00 0.00 C ATOM 155 C SER A 9 -6.212 7.356 -4.465 1.00 0.00 C ATOM 156 O SER A 9 -6.867 6.343 -4.189 1.00 0.00 O ATOM 157 CB SER A 9 -5.463 7.364 -6.859 1.00 0.00 C ATOM 158 OG SER A 9 -6.513 6.449 -7.139 1.00 0.00 O ATOM 0 H SER A 9 -4.555 5.239 -5.769 1.00 0.00 H new ATOM 0 HA SER A 9 -4.314 8.087 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.799 8.380 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.620 7.166 -7.521 1.00 0.00 H new ATOM 0 HG SER A 9 -6.143 5.547 -7.238 1.00 0.00 H new ATOM 164 N ARG A 10 -6.508 8.553 -3.965 1.00 0.00 N ATOM 165 CA ARG A 10 -7.590 8.722 -2.985 1.00 0.00 C ATOM 166 C ARG A 10 -8.913 8.098 -3.472 1.00 0.00 C ATOM 167 O ARG A 10 -9.648 7.509 -2.684 1.00 0.00 O ATOM 168 CB ARG A 10 -7.800 10.203 -2.649 1.00 0.00 C ATOM 169 CG ARG A 10 -8.804 10.434 -1.520 1.00 0.00 C ATOM 170 CD ARG A 10 -8.327 9.838 -0.195 1.00 0.00 C ATOM 171 NE ARG A 10 -9.355 9.922 0.842 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.114 10.117 2.110 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.905 10.280 2.539 1.00 0.00 N ATOM 174 NH2 ARG A 10 -10.097 10.150 2.952 1.00 0.00 N ATOM 0 H ARG A 10 -6.023 9.415 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.284 8.194 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.843 10.644 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.143 10.725 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.970 11.504 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.762 9.992 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.048 8.795 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.432 10.363 0.138 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.328 9.821 0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.124 10.257 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.733 10.431 3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.054 10.024 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.914 10.302 3.944 1.00 0.00 H new ATOM 188 N ALA A 11 -9.196 8.215 -4.771 1.00 0.00 N ATOM 189 CA ALA A 11 -10.416 7.642 -5.363 1.00 0.00 C ATOM 190 C ALA A 11 -10.576 6.140 -5.048 1.00 0.00 C ATOM 191 O ALA A 11 -11.672 5.679 -4.712 1.00 0.00 O ATOM 192 CB ALA A 11 -10.414 7.868 -6.872 1.00 0.00 C ATOM 0 H ALA A 11 -8.598 8.702 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.268 8.153 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.319 7.442 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.381 8.938 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.540 7.386 -7.311 1.00 0.00 H new ATOM 198 N GLU A 12 -9.478 5.387 -5.146 1.00 0.00 N ATOM 199 CA GLU A 12 -9.494 3.938 -4.891 1.00 0.00 C ATOM 200 C GLU A 12 -9.600 3.628 -3.388 1.00 0.00 C ATOM 201 O GLU A 12 -10.495 2.905 -2.944 1.00 0.00 O ATOM 202 CB GLU A 12 -8.213 3.294 -5.450 1.00 0.00 C ATOM 203 CG GLU A 12 -8.026 3.470 -6.955 1.00 0.00 C ATOM 204 CD GLU A 12 -6.686 2.934 -7.448 1.00 0.00 C ATOM 205 OE1 GLU A 12 -6.610 1.741 -7.819 1.00 0.00 O ATOM 206 OE2 GLU A 12 -5.704 3.710 -7.476 1.00 0.00 O ATOM 0 H GLU A 12 -8.562 5.755 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.371 3.525 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.352 3.721 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.226 2.229 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.833 2.958 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.104 4.528 -7.205 1.00 0.00 H new ATOM 213 N TRP A 13 -8.679 4.189 -2.612 1.00 0.00 N ATOM 214 CA TRP A 13 -8.572 3.891 -1.178 1.00 0.00 C ATOM 215 C TRP A 13 -9.771 4.428 -0.363 1.00 0.00 C ATOM 216 O TRP A 13 -10.177 3.817 0.630 1.00 0.00 O ATOM 217 CB TRP A 13 -7.238 4.440 -0.644 1.00 0.00 C ATOM 218 CG TRP A 13 -7.124 4.443 0.854 1.00 0.00 C ATOM 219 CD1 TRP A 13 -6.998 5.535 1.665 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.140 3.300 1.719 1.00 0.00 C ATOM 221 NE1 TRP A 13 -6.912 5.140 2.977 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.001 3.774 3.037 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.247 1.922 1.505 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -6.977 2.920 4.135 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.224 1.074 2.597 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.087 1.576 3.899 1.00 0.00 C ATOM 0 H TRP A 13 -7.988 4.859 -2.950 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.594 2.808 -1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.423 3.846 -1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.106 5.459 -1.008 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.970 6.559 1.324 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.800 5.762 3.777 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.346 1.527 0.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.875 3.304 5.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.313 0.009 2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.068 0.889 4.732 1.00 0.00 H new ATOM 237 N ASP A 14 -10.345 5.556 -0.780 1.00 0.00 N ATOM 238 CA ASP A 14 -11.527 6.112 -0.102 1.00 0.00 C ATOM 239 C ASP A 14 -12.721 5.157 -0.253 1.00 0.00 C ATOM 240 O ASP A 14 -13.466 4.895 0.700 1.00 0.00 O ATOM 241 CB ASP A 14 -11.881 7.480 -0.693 1.00 0.00 C ATOM 242 CG ASP A 14 -12.716 8.330 0.252 1.00 0.00 C ATOM 243 OD1 ASP A 14 -13.951 8.153 0.284 1.00 0.00 O ATOM 244 OD2 ASP A 14 -12.140 9.184 0.962 1.00 0.00 O ATOM 0 H ASP A 14 -10.018 6.103 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.297 6.231 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.963 8.013 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.427 7.338 -1.626 1.00 0.00 H new ATOM 249 N ALA A 15 -12.884 4.640 -1.467 1.00 0.00 N ATOM 250 CA ALA A 15 -13.909 3.643 -1.767 1.00 0.00 C ATOM 251 C ALA A 15 -13.677 2.356 -0.963 1.00 0.00 C ATOM 252 O ALA A 15 -14.624 1.703 -0.518 1.00 0.00 O ATOM 253 CB ALA A 15 -13.912 3.359 -3.261 1.00 0.00 C ATOM 0 H ALA A 15 -12.311 4.899 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.884 4.036 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.676 2.615 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.127 4.278 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.935 2.979 -3.561 1.00 0.00 H new ATOM 259 N ALA A 16 -12.404 2.003 -0.773 1.00 0.00 N ATOM 260 CA ALA A 16 -12.029 0.863 0.074 1.00 0.00 C ATOM 261 C ALA A 16 -12.589 1.023 1.495 1.00 0.00 C ATOM 262 O ALA A 16 -13.142 0.082 2.066 1.00 0.00 O ATOM 263 CB ALA A 16 -10.513 0.713 0.119 1.00 0.00 C ATOM 0 H ALA A 16 -11.612 2.490 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.461 -0.038 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.250 -0.136 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.134 0.547 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.070 1.621 0.528 1.00 0.00 H new ATOM 269 N LYS A 17 -12.446 2.225 2.057 1.00 0.00 N ATOM 270 CA LYS A 17 -13.023 2.541 3.373 1.00 0.00 C ATOM 271 C LYS A 17 -14.547 2.335 3.368 1.00 0.00 C ATOM 272 O LYS A 17 -15.123 1.839 4.336 1.00 0.00 O ATOM 273 CB LYS A 17 -12.704 3.990 3.772 1.00 0.00 C ATOM 274 CG LYS A 17 -11.218 4.283 3.972 1.00 0.00 C ATOM 275 CD LYS A 17 -10.983 5.757 4.303 1.00 0.00 C ATOM 276 CE LYS A 17 -9.510 6.063 4.564 1.00 0.00 C ATOM 277 NZ LYS A 17 -9.003 5.391 5.791 1.00 0.00 N ATOM 0 H LYS A 17 -11.937 2.997 1.625 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.577 1.863 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.092 4.658 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.234 4.224 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.827 3.660 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.668 4.019 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.340 6.374 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.570 6.028 5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.917 5.744 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.377 7.140 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.823 6.103 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.712 4.711 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.119 4.889 5.572 1.00 0.00 H new ATOM 291 N ALA A 18 -15.193 2.713 2.264 1.00 0.00 N ATOM 292 CA ALA A 18 -16.642 2.533 2.111 1.00 0.00 C ATOM 293 C ALA A 18 -17.031 1.043 2.105 1.00 0.00 C ATOM 294 O ALA A 18 -18.128 0.669 2.524 1.00 0.00 O ATOM 295 CB ALA A 18 -17.123 3.214 0.833 1.00 0.00 C ATOM 0 H ALA A 18 -14.738 3.146 1.461 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.130 2.997 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.199 3.074 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.898 4.279 0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.616 2.775 -0.026 1.00 0.00 H new ATOM 301 N GLN A 19 -16.123 0.201 1.619 1.00 0.00 N ATOM 302 CA GLN A 19 -16.337 -1.253 1.587 1.00 0.00 C ATOM 303 C GLN A 19 -15.863 -1.929 2.884 1.00 0.00 C ATOM 304 O GLN A 19 -16.380 -2.977 3.280 1.00 0.00 O ATOM 305 CB GLN A 19 -15.575 -1.867 0.407 1.00 0.00 C ATOM 306 CG GLN A 19 -15.972 -1.306 -0.951 1.00 0.00 C ATOM 307 CD GLN A 19 -15.181 -1.928 -2.091 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.768 -3.080 -2.017 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.963 -1.180 -3.154 1.00 0.00 N ATOM 0 H GLN A 19 -15.225 0.498 1.238 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.409 -1.421 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.507 -1.707 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.739 -2.945 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.036 -1.478 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.819 -0.227 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.319 -0.225 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.438 -1.556 -3.944 1.00 0.00 H new ATOM 318 N GLY A 20 -14.876 -1.318 3.536 1.00 0.00 N ATOM 319 CA GLY A 20 -14.202 -1.951 4.665 1.00 0.00 C ATOM 320 C GLY A 20 -13.019 -2.807 4.218 1.00 0.00 C ATOM 321 O GLY A 20 -12.270 -3.342 5.041 1.00 0.00 O ATOM 0 H GLY A 20 -14.527 -0.389 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.854 -1.183 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.913 -2.572 5.210 1.00 0.00 H new ATOM 325 N ARG A 21 -12.843 -2.922 2.900 1.00 0.00 N ATOM 326 CA ARG A 21 -11.779 -3.738 2.319 1.00 0.00 C ATOM 327 C ARG A 21 -11.250 -3.119 1.018 1.00 0.00 C ATOM 328 O ARG A 21 -12.019 -2.583 0.223 1.00 0.00 O ATOM 329 CB ARG A 21 -12.322 -5.136 2.016 1.00 0.00 C ATOM 330 CG ARG A 21 -11.274 -6.114 1.498 1.00 0.00 C ATOM 331 CD ARG A 21 -11.917 -7.400 0.994 1.00 0.00 C ATOM 332 NE ARG A 21 -12.437 -7.265 -0.369 1.00 0.00 N ATOM 333 CZ ARG A 21 -13.420 -7.971 -0.855 1.00 0.00 C ATOM 334 NH1 ARG A 21 -14.066 -8.805 -0.109 1.00 0.00 N ATOM 335 NH2 ARG A 21 -13.759 -7.828 -2.091 1.00 0.00 N ATOM 0 H ARG A 21 -13.431 -2.454 2.210 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.961 -3.791 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.768 -5.545 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.120 -5.052 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.706 -5.649 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.566 -6.347 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.183 -8.206 1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.729 -7.684 1.664 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.001 -6.573 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.809 -8.917 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.833 -9.351 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.259 -7.165 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.527 -8.378 -2.476 1.00 0.00 H new ATOM 349 N PHE A 22 -9.940 -3.200 0.805 1.00 0.00 N ATOM 350 CA PHE A 22 -9.349 -2.817 -0.477 1.00 0.00 C ATOM 351 C PHE A 22 -8.978 -4.062 -1.292 1.00 0.00 C ATOM 352 O PHE A 22 -8.517 -5.070 -0.745 1.00 0.00 O ATOM 353 CB PHE A 22 -8.104 -1.936 -0.282 1.00 0.00 C ATOM 354 CG PHE A 22 -7.549 -1.413 -1.589 1.00 0.00 C ATOM 355 CD1 PHE A 22 -8.358 -0.668 -2.442 1.00 0.00 C ATOM 356 CD2 PHE A 22 -6.240 -1.679 -1.983 1.00 0.00 C ATOM 357 CE1 PHE A 22 -7.877 -0.199 -3.647 1.00 0.00 C ATOM 358 CE2 PHE A 22 -5.761 -1.212 -3.191 1.00 0.00 C ATOM 359 CZ PHE A 22 -6.581 -0.471 -4.022 1.00 0.00 C ATOM 0 H PHE A 22 -9.268 -3.526 1.500 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.096 -2.239 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.357 -1.095 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.333 -2.511 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.377 -0.454 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.594 -2.256 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.517 0.381 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.745 -1.426 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.204 -0.105 -4.966 1.00 0.00 H new ATOM 369 N GLU A 23 -9.196 -3.986 -2.597 1.00 0.00 N ATOM 370 CA GLU A 23 -8.811 -5.059 -3.515 1.00 0.00 C ATOM 371 C GLU A 23 -7.286 -5.081 -3.721 1.00 0.00 C ATOM 372 O GLU A 23 -6.531 -4.476 -2.959 1.00 0.00 O ATOM 373 CB GLU A 23 -9.510 -4.853 -4.867 1.00 0.00 C ATOM 374 CG GLU A 23 -11.022 -4.671 -4.770 1.00 0.00 C ATOM 375 CD GLU A 23 -11.743 -5.891 -4.219 1.00 0.00 C ATOM 376 OE1 GLU A 23 -11.927 -6.869 -4.975 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.154 -5.868 -3.039 1.00 0.00 O ATOM 0 H GLU A 23 -9.641 -3.188 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.116 -6.012 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.081 -3.978 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.299 -5.710 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.237 -3.813 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.417 -4.441 -5.759 1.00 0.00 H new ATOM 384 N GLY A 24 -6.832 -5.792 -4.743 1.00 0.00 N ATOM 385 CA GLY A 24 -5.426 -5.736 -5.111 1.00 0.00 C ATOM 386 C GLY A 24 -5.134 -4.565 -6.043 1.00 0.00 C ATOM 387 O GLY A 24 -4.719 -3.493 -5.595 1.00 0.00 O ATOM 0 H GLY A 24 -7.406 -6.404 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.817 -5.646 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.140 -6.669 -5.597 1.00 0.00 H new ATOM 391 N SER A 25 -5.374 -4.792 -7.335 1.00 0.00 N ATOM 392 CA SER A 25 -5.181 -3.798 -8.407 1.00 0.00 C ATOM 393 C SER A 25 -5.166 -4.507 -9.761 1.00 0.00 C ATOM 394 O SER A 25 -4.989 -5.725 -9.818 1.00 0.00 O ATOM 395 CB SER A 25 -3.862 -3.024 -8.243 1.00 0.00 C ATOM 396 OG SER A 25 -3.622 -2.168 -9.352 1.00 0.00 O ATOM 0 H SER A 25 -5.716 -5.689 -7.679 1.00 0.00 H new ATOM 0 HA SER A 25 -6.005 -3.087 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.896 -2.434 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.036 -3.728 -8.139 1.00 0.00 H new ATOM 0 HG SER A 25 -2.778 -1.688 -9.218 1.00 0.00 H new ATOM 402 N ALA A 26 -5.343 -3.758 -10.848 1.00 0.00 N ATOM 403 CA ALA A 26 -5.217 -4.327 -12.197 1.00 0.00 C ATOM 404 C ALA A 26 -3.875 -5.063 -12.352 1.00 0.00 C ATOM 405 O ALA A 26 -3.794 -6.119 -12.983 1.00 0.00 O ATOM 406 CB ALA A 26 -5.352 -3.230 -13.251 1.00 0.00 C ATOM 0 H ALA A 26 -5.572 -2.764 -10.827 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.021 -5.049 -12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.256 -3.667 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.327 -2.753 -13.157 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.569 -2.486 -13.105 1.00 0.00 H new ATOM 412 N VAL A 27 -2.831 -4.502 -11.740 1.00 0.00 N ATOM 413 CA VAL A 27 -1.498 -5.110 -11.754 1.00 0.00 C ATOM 414 C VAL A 27 -1.441 -6.354 -10.847 1.00 0.00 C ATOM 415 O VAL A 27 -1.083 -7.438 -11.298 1.00 0.00 O ATOM 416 CB VAL A 27 -0.411 -4.098 -11.306 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.982 -4.729 -11.365 1.00 0.00 C ATOM 418 CG2 VAL A 27 -0.471 -2.829 -12.158 1.00 0.00 C ATOM 0 H VAL A 27 -2.883 -3.623 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.299 -5.411 -12.782 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.610 -3.823 -10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.726 -3.999 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.017 -5.595 -10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.196 -5.043 -12.387 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.299 -2.132 -11.828 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.304 -3.085 -13.204 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.451 -2.364 -12.050 1.00 0.00 H new ATOM 428 N ASP A 28 -1.811 -6.192 -9.571 1.00 0.00 N ATOM 429 CA ASP A 28 -1.792 -7.306 -8.605 1.00 0.00 C ATOM 430 C ASP A 28 -2.551 -8.539 -9.132 1.00 0.00 C ATOM 431 O ASP A 28 -2.062 -9.668 -9.049 1.00 0.00 O ATOM 432 CB ASP A 28 -2.390 -6.866 -7.260 1.00 0.00 C ATOM 433 CG ASP A 28 -1.525 -5.845 -6.536 1.00 0.00 C ATOM 434 OD1 ASP A 28 -0.358 -6.158 -6.232 1.00 0.00 O ATOM 435 OD2 ASP A 28 -2.008 -4.733 -6.255 1.00 0.00 O ATOM 0 H ASP A 28 -2.127 -5.304 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.749 -7.588 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.380 -6.442 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.522 -7.740 -6.623 1.00 0.00 H new ATOM 440 N LEU A 29 -3.744 -8.320 -9.680 1.00 0.00 N ATOM 441 CA LEU A 29 -4.543 -9.417 -10.236 1.00 0.00 C ATOM 442 C LEU A 29 -3.966 -9.928 -11.565 1.00 0.00 C ATOM 443 O LEU A 29 -4.193 -11.081 -11.935 1.00 0.00 O ATOM 444 CB LEU A 29 -6.012 -9.002 -10.405 1.00 0.00 C ATOM 445 CG LEU A 29 -6.848 -8.993 -9.107 1.00 0.00 C ATOM 446 CD1 LEU A 29 -6.798 -10.357 -8.419 1.00 0.00 C ATOM 447 CD2 LEU A 29 -6.383 -7.900 -8.148 1.00 0.00 C ATOM 0 H LEU A 29 -4.179 -7.400 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.500 -10.239 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.043 -8.005 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.484 -9.679 -11.117 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.880 -8.779 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.394 -10.327 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.199 -11.117 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.765 -10.601 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.994 -7.924 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.339 -8.068 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.484 -6.927 -8.629 1.00 0.00 H new ATOM 459 N ALA A 30 -3.230 -9.076 -12.282 1.00 0.00 N ATOM 460 CA ALA A 30 -2.496 -9.515 -13.475 1.00 0.00 C ATOM 461 C ALA A 30 -1.380 -10.508 -13.100 1.00 0.00 C ATOM 462 O ALA A 30 -1.090 -11.453 -13.841 1.00 0.00 O ATOM 463 CB ALA A 30 -1.920 -8.320 -14.223 1.00 0.00 C ATOM 0 H ALA A 30 -3.125 -8.086 -12.061 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.198 -10.026 -14.133 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.380 -8.668 -15.104 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.730 -7.659 -14.532 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.237 -7.777 -13.570 1.00 0.00 H new ATOM 469 N ASP A 31 -0.735 -10.266 -11.956 1.00 0.00 N ATOM 470 CA ASP A 31 0.200 -11.235 -11.369 1.00 0.00 C ATOM 471 C ASP A 31 -0.561 -12.459 -10.826 1.00 0.00 C ATOM 472 O ASP A 31 -0.120 -13.604 -10.969 1.00 0.00 O ATOM 473 CB ASP A 31 1.008 -10.587 -10.232 1.00 0.00 C ATOM 474 CG ASP A 31 1.957 -9.505 -10.718 1.00 0.00 C ATOM 475 OD1 ASP A 31 1.492 -8.390 -11.021 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.178 -9.760 -10.784 1.00 0.00 O ATOM 0 H ASP A 31 -0.842 -9.407 -11.416 1.00 0.00 H new ATOM 0 HA ASP A 31 0.885 -11.559 -12.152 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.320 -10.158 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.579 -11.358 -9.715 1.00 0.00 H new ATOM 481 N GLY A 32 -1.714 -12.199 -10.211 1.00 0.00 N ATOM 482 CA GLY A 32 -2.538 -13.258 -9.636 1.00 0.00 C ATOM 483 C GLY A 32 -2.692 -13.128 -8.123 1.00 0.00 C ATOM 484 O GLY A 32 -3.431 -13.888 -7.499 1.00 0.00 O ATOM 0 H GLY A 32 -2.098 -11.261 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.524 -13.238 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.094 -14.226 -9.870 1.00 0.00 H new ATOM 488 N PHE A 33 -1.998 -12.153 -7.538 1.00 0.00 N ATOM 489 CA PHE A 33 -2.019 -11.932 -6.085 1.00 0.00 C ATOM 490 C PHE A 33 -1.434 -10.556 -5.729 1.00 0.00 C ATOM 491 O PHE A 33 -0.739 -9.937 -6.537 1.00 0.00 O ATOM 492 CB PHE A 33 -1.236 -13.045 -5.359 1.00 0.00 C ATOM 493 CG PHE A 33 0.185 -13.213 -5.852 1.00 0.00 C ATOM 494 CD1 PHE A 33 1.225 -12.481 -5.294 1.00 0.00 C ATOM 495 CD2 PHE A 33 0.476 -14.099 -6.882 1.00 0.00 C ATOM 496 CE1 PHE A 33 2.520 -12.628 -5.754 1.00 0.00 C ATOM 497 CE2 PHE A 33 1.770 -14.249 -7.342 1.00 0.00 C ATOM 498 CZ PHE A 33 2.793 -13.513 -6.778 1.00 0.00 C ATOM 0 H PHE A 33 -1.408 -11.496 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.058 -11.959 -5.756 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.217 -12.826 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.767 -13.989 -5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.019 -11.789 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.319 -14.678 -7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.319 -12.050 -5.312 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.981 -14.942 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.805 -13.629 -7.137 1.00 0.00 H new ATOM 508 N ILE A 34 -1.705 -10.086 -4.513 1.00 0.00 N ATOM 509 CA ILE A 34 -1.216 -8.778 -4.070 1.00 0.00 C ATOM 510 C ILE A 34 0.298 -8.809 -3.792 1.00 0.00 C ATOM 511 O ILE A 34 0.798 -9.683 -3.084 1.00 0.00 O ATOM 512 CB ILE A 34 -1.963 -8.291 -2.800 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.478 -8.224 -3.065 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.433 -6.927 -2.348 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.293 -7.753 -1.877 1.00 0.00 C ATOM 0 H ILE A 34 -2.258 -10.587 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.412 -8.079 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.782 -9.007 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.660 -7.554 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.828 -9.212 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.971 -6.605 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.370 -7.007 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.581 -6.197 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.349 -7.734 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.144 -8.435 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.973 -6.751 -1.590 1.00 0.00 H new ATOM 527 N HIS A 35 1.026 -7.860 -4.367 1.00 0.00 N ATOM 528 CA HIS A 35 2.466 -7.736 -4.136 1.00 0.00 C ATOM 529 C HIS A 35 2.823 -6.335 -3.620 1.00 0.00 C ATOM 530 O HIS A 35 2.794 -5.354 -4.367 1.00 0.00 O ATOM 531 CB HIS A 35 3.243 -8.065 -5.419 1.00 0.00 C ATOM 532 CG HIS A 35 2.665 -7.451 -6.659 1.00 0.00 C ATOM 533 ND1 HIS A 35 2.784 -6.113 -6.967 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.965 -8.005 -7.677 1.00 0.00 C ATOM 535 CE1 HIS A 35 2.185 -5.873 -8.116 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.681 -7.003 -8.570 1.00 0.00 N ATOM 0 H HIS A 35 0.643 -7.159 -5.001 1.00 0.00 H new ATOM 0 HA HIS A 35 2.753 -8.454 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.273 -7.726 -5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.276 -9.147 -5.544 1.00 0.00 H new ATOM 0 HD1 HIS A 35 3.261 -5.417 -6.395 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.683 -9.043 -7.769 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.118 -4.912 -8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.164 -7.114 -9.442 1.00 0.00 H new ATOM 545 N LEU A 36 3.148 -6.255 -2.333 1.00 0.00 N ATOM 546 CA LEU A 36 3.478 -4.983 -1.686 1.00 0.00 C ATOM 547 C LEU A 36 4.968 -4.646 -1.852 1.00 0.00 C ATOM 548 O LEU A 36 5.741 -5.446 -2.380 1.00 0.00 O ATOM 549 CB LEU A 36 3.104 -5.050 -0.196 1.00 0.00 C ATOM 550 CG LEU A 36 1.631 -5.396 0.084 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.384 -5.565 1.579 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.710 -4.326 -0.494 1.00 0.00 C ATOM 0 H LEU A 36 3.191 -7.062 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 36 2.904 -4.190 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.736 -5.793 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.331 -4.089 0.265 1.00 0.00 H new ATOM 0 HG LEU A 36 1.408 -6.345 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.335 -5.809 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.011 -6.370 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.629 -4.637 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.327 -4.588 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.940 -3.363 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.859 -4.261 -1.572 1.00 0.00 H new ATOM 564 N SER A 37 5.374 -3.465 -1.390 1.00 0.00 N ATOM 565 CA SER A 37 6.763 -3.010 -1.557 1.00 0.00 C ATOM 566 C SER A 37 7.383 -2.549 -0.229 1.00 0.00 C ATOM 567 O SER A 37 6.678 -2.134 0.688 1.00 0.00 O ATOM 568 CB SER A 37 6.831 -1.874 -2.590 1.00 0.00 C ATOM 569 OG SER A 37 6.044 -0.757 -2.196 1.00 0.00 O ATOM 0 H SER A 37 4.770 -2.806 -0.900 1.00 0.00 H new ATOM 0 HA SER A 37 7.342 -3.862 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.867 -1.562 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.485 -2.240 -3.557 1.00 0.00 H new ATOM 0 HG SER A 37 5.430 -1.025 -1.481 1.00 0.00 H new ATOM 575 N ALA A 38 8.709 -2.639 -0.136 1.00 0.00 N ATOM 576 CA ALA A 38 9.448 -2.175 1.049 1.00 0.00 C ATOM 577 C ALA A 38 10.031 -0.770 0.814 1.00 0.00 C ATOM 578 O ALA A 38 9.782 -0.165 -0.222 1.00 0.00 O ATOM 579 CB ALA A 38 10.550 -3.170 1.406 1.00 0.00 C ATOM 0 H ALA A 38 9.301 -3.030 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 38 8.755 -2.112 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.090 -2.816 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.107 -4.142 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.241 -3.263 0.569 1.00 0.00 H new ATOM 585 N GLY A 39 10.829 -0.275 1.765 1.00 0.00 N ATOM 586 CA GLY A 39 11.338 1.104 1.714 1.00 0.00 C ATOM 587 C GLY A 39 11.904 1.536 0.352 1.00 0.00 C ATOM 588 O GLY A 39 11.342 2.414 -0.310 1.00 0.00 O ATOM 0 H GLY A 39 11.138 -0.806 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.531 1.784 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.118 1.216 2.467 1.00 0.00 H new ATOM 592 N GLU A 40 13.011 0.919 -0.068 1.00 0.00 N ATOM 593 CA GLU A 40 13.692 1.293 -1.323 1.00 0.00 C ATOM 594 C GLU A 40 12.769 1.141 -2.545 1.00 0.00 C ATOM 595 O GLU A 40 12.568 2.082 -3.315 1.00 0.00 O ATOM 596 CB GLU A 40 14.945 0.427 -1.531 1.00 0.00 C ATOM 597 CG GLU A 40 15.972 0.522 -0.407 1.00 0.00 C ATOM 598 CD GLU A 40 17.187 -0.359 -0.659 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.140 -1.562 -0.319 1.00 0.00 O ATOM 600 OE2 GLU A 40 18.187 0.140 -1.221 1.00 0.00 O ATOM 0 H GLU A 40 13.460 0.156 0.439 1.00 0.00 H new ATOM 0 HA GLU A 40 13.974 2.342 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.639 -0.613 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.421 0.718 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.293 1.558 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.505 0.232 0.534 1.00 0.00 H new ATOM 607 N GLN A 41 12.216 -0.059 -2.706 1.00 0.00 N ATOM 608 CA GLN A 41 11.359 -0.387 -3.853 1.00 0.00 C ATOM 609 C GLN A 41 10.086 0.481 -3.903 1.00 0.00 C ATOM 610 O GLN A 41 9.611 0.832 -4.988 1.00 0.00 O ATOM 611 CB GLN A 41 10.990 -1.891 -3.862 1.00 0.00 C ATOM 612 CG GLN A 41 10.774 -2.527 -2.489 1.00 0.00 C ATOM 613 CD GLN A 41 12.063 -2.993 -1.823 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.709 -2.248 -1.098 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.437 -4.232 -2.053 1.00 0.00 N ATOM 0 H GLN A 41 12.346 -0.831 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 41 11.939 -0.164 -4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.081 -2.020 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.781 -2.438 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.278 -1.807 -1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.101 -3.378 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.877 -4.829 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.287 -4.597 -1.622 1.00 0.00 H new ATOM 624 N ALA A 42 9.543 0.831 -2.739 1.00 0.00 N ATOM 625 CA ALA A 42 8.358 1.698 -2.669 1.00 0.00 C ATOM 626 C ALA A 42 8.704 3.137 -3.062 1.00 0.00 C ATOM 627 O ALA A 42 8.000 3.762 -3.856 1.00 0.00 O ATOM 628 CB ALA A 42 7.749 1.672 -1.272 1.00 0.00 C ATOM 0 H ALA A 42 9.900 0.531 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 42 7.625 1.313 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.874 2.321 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.453 0.653 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.484 2.024 -0.548 1.00 0.00 H new ATOM 634 N GLN A 43 9.801 3.653 -2.508 1.00 0.00 N ATOM 635 CA GLN A 43 10.243 5.021 -2.794 1.00 0.00 C ATOM 636 C GLN A 43 10.556 5.188 -4.292 1.00 0.00 C ATOM 637 O GLN A 43 10.196 6.198 -4.904 1.00 0.00 O ATOM 638 CB GLN A 43 11.472 5.372 -1.930 1.00 0.00 C ATOM 639 CG GLN A 43 11.569 6.852 -1.550 1.00 0.00 C ATOM 640 CD GLN A 43 11.898 7.766 -2.719 1.00 0.00 C ATOM 641 OE1 GLN A 43 12.626 7.398 -3.633 1.00 0.00 O ATOM 642 NE2 GLN A 43 11.345 8.963 -2.707 1.00 0.00 N ATOM 0 H GLN A 43 10.401 3.145 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 43 9.437 5.710 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.444 4.775 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.375 5.087 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.623 7.167 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.333 6.971 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.743 9.239 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.519 9.613 -3.474 1.00 0.00 H new ATOM 651 N GLU A 44 11.214 4.186 -4.882 1.00 0.00 N ATOM 652 CA GLU A 44 11.490 4.195 -6.323 1.00 0.00 C ATOM 653 C GLU A 44 10.180 4.193 -7.126 1.00 0.00 C ATOM 654 O GLU A 44 9.964 5.052 -7.978 1.00 0.00 O ATOM 655 CB GLU A 44 12.343 2.986 -6.738 1.00 0.00 C ATOM 656 CG GLU A 44 12.768 3.032 -8.206 1.00 0.00 C ATOM 657 CD GLU A 44 13.418 1.746 -8.691 1.00 0.00 C ATOM 658 OE1 GLU A 44 14.446 1.333 -8.113 1.00 0.00 O ATOM 659 OE2 GLU A 44 12.915 1.156 -9.673 1.00 0.00 O ATOM 0 H GLU A 44 11.563 3.364 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 44 12.047 5.106 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.232 2.942 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.779 2.071 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.894 3.243 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.465 3.858 -8.348 1.00 0.00 H new ATOM 666 N THR A 45 9.307 3.219 -6.841 1.00 0.00 N ATOM 667 CA THR A 45 7.989 3.123 -7.496 1.00 0.00 C ATOM 668 C THR A 45 7.209 4.438 -7.381 1.00 0.00 C ATOM 669 O THR A 45 6.534 4.859 -8.323 1.00 0.00 O ATOM 670 CB THR A 45 7.136 1.974 -6.896 1.00 0.00 C ATOM 671 OG1 THR A 45 7.776 0.710 -7.138 1.00 0.00 O ATOM 672 CG2 THR A 45 5.724 1.950 -7.483 1.00 0.00 C ATOM 0 H THR A 45 9.487 2.482 -6.159 1.00 0.00 H new ATOM 0 HA THR A 45 8.180 2.911 -8.548 1.00 0.00 H new ATOM 0 HB THR A 45 7.054 2.151 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.476 0.564 -6.467 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.159 1.132 -7.037 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.225 2.895 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.781 1.806 -8.562 1.00 0.00 H new ATOM 680 N ALA A 46 7.317 5.085 -6.226 1.00 0.00 N ATOM 681 CA ALA A 46 6.689 6.388 -5.996 1.00 0.00 C ATOM 682 C ALA A 46 7.212 7.449 -6.978 1.00 0.00 C ATOM 683 O ALA A 46 6.455 8.287 -7.470 1.00 0.00 O ATOM 684 CB ALA A 46 6.933 6.828 -4.558 1.00 0.00 C ATOM 0 H ALA A 46 7.838 4.727 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 46 5.617 6.285 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.465 7.798 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.504 6.095 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.005 6.907 -4.379 1.00 0.00 H new ATOM 690 N ALA A 47 8.513 7.402 -7.264 1.00 0.00 N ATOM 691 CA ALA A 47 9.139 8.337 -8.210 1.00 0.00 C ATOM 692 C ALA A 47 8.942 7.890 -9.671 1.00 0.00 C ATOM 693 O ALA A 47 8.981 8.705 -10.590 1.00 0.00 O ATOM 694 CB ALA A 47 10.626 8.478 -7.895 1.00 0.00 C ATOM 0 H ALA A 47 9.158 6.726 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 47 8.651 9.305 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.083 9.172 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.749 8.858 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.110 7.505 -7.979 1.00 0.00 H new ATOM 700 N LYS A 48 8.741 6.589 -9.872 1.00 0.00 N ATOM 701 CA LYS A 48 8.544 6.018 -11.205 1.00 0.00 C ATOM 702 C LYS A 48 7.104 6.210 -11.714 1.00 0.00 C ATOM 703 O LYS A 48 6.864 6.911 -12.700 1.00 0.00 O ATOM 704 CB LYS A 48 8.870 4.518 -11.174 1.00 0.00 C ATOM 705 CG LYS A 48 10.351 4.183 -10.990 1.00 0.00 C ATOM 706 CD LYS A 48 11.190 4.600 -12.195 1.00 0.00 C ATOM 707 CE LYS A 48 12.634 4.114 -12.080 1.00 0.00 C ATOM 708 NZ LYS A 48 12.728 2.627 -12.041 1.00 0.00 N ATOM 0 H LYS A 48 8.710 5.902 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 48 9.213 6.543 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.305 4.055 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.523 4.067 -12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.727 4.683 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.462 3.111 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.743 4.199 -13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.179 5.686 -12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.210 4.490 -12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.084 4.528 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.581 2.320 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.781 2.308 -11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.887 2.214 -12.493 1.00 0.00 H new ATOM 722 N TRP A 49 6.150 5.581 -11.031 1.00 0.00 N ATOM 723 CA TRP A 49 4.757 5.531 -11.495 1.00 0.00 C ATOM 724 C TRP A 49 3.908 6.687 -10.936 1.00 0.00 C ATOM 725 O TRP A 49 2.905 7.081 -11.535 1.00 0.00 O ATOM 726 CB TRP A 49 4.130 4.187 -11.097 1.00 0.00 C ATOM 727 CG TRP A 49 4.940 2.999 -11.537 1.00 0.00 C ATOM 728 CD1 TRP A 49 5.992 2.439 -10.872 1.00 0.00 C ATOM 729 CD2 TRP A 49 4.766 2.223 -12.731 1.00 0.00 C ATOM 730 NE1 TRP A 49 6.481 1.366 -11.570 1.00 0.00 N ATOM 731 CE2 TRP A 49 5.748 1.212 -12.716 1.00 0.00 C ATOM 732 CE3 TRP A 49 3.877 2.283 -13.809 1.00 0.00 C ATOM 733 CZ2 TRP A 49 5.864 0.270 -13.735 1.00 0.00 C ATOM 734 CZ3 TRP A 49 3.994 1.348 -14.822 1.00 0.00 C ATOM 735 CH2 TRP A 49 4.981 0.353 -14.779 1.00 0.00 C ATOM 0 H TRP A 49 6.313 5.095 -10.149 1.00 0.00 H new ATOM 0 HA TRP A 49 4.770 5.635 -12.580 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.011 4.156 -10.014 1.00 0.00 H new ATOM 0 HB3 TRP A 49 3.132 4.118 -11.529 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.384 2.792 -9.929 1.00 0.00 H new ATOM 0 HE1 TRP A 49 7.263 0.778 -11.283 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.113 3.045 -13.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.623 -0.498 -13.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.314 1.385 -15.660 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.046 -0.362 -15.585 1.00 0.00 H new ATOM 746 N PHE A 50 4.311 7.234 -9.790 1.00 0.00 N ATOM 747 CA PHE A 50 3.515 8.266 -9.110 1.00 0.00 C ATOM 748 C PHE A 50 4.144 9.669 -9.198 1.00 0.00 C ATOM 749 O PHE A 50 3.768 10.576 -8.449 1.00 0.00 O ATOM 750 CB PHE A 50 3.282 7.866 -7.649 1.00 0.00 C ATOM 751 CG PHE A 50 2.493 6.585 -7.510 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.182 6.516 -7.961 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.060 5.452 -6.937 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.454 5.347 -7.843 1.00 0.00 C ATOM 755 CE2 PHE A 50 2.334 4.281 -6.817 1.00 0.00 C ATOM 756 CZ PHE A 50 1.031 4.228 -7.271 1.00 0.00 C ATOM 0 H PHE A 50 5.177 6.985 -9.312 1.00 0.00 H new ATOM 0 HA PHE A 50 2.559 8.328 -9.630 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.245 7.750 -7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.753 8.670 -7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.725 7.386 -8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.079 5.487 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.565 5.308 -8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.786 3.409 -6.369 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.463 3.314 -7.179 1.00 0.00 H new ATOM 766 N ARG A 51 5.072 9.856 -10.132 1.00 0.00 N ATOM 767 CA ARG A 51 5.658 11.178 -10.382 1.00 0.00 C ATOM 768 C ARG A 51 4.651 12.098 -11.101 1.00 0.00 C ATOM 769 O ARG A 51 4.254 11.834 -12.237 1.00 0.00 O ATOM 770 CB ARG A 51 6.937 11.047 -11.223 1.00 0.00 C ATOM 771 CG ARG A 51 7.612 12.383 -11.533 1.00 0.00 C ATOM 772 CD ARG A 51 8.764 12.228 -12.520 1.00 0.00 C ATOM 773 NE ARG A 51 9.866 11.430 -11.980 1.00 0.00 N ATOM 774 CZ ARG A 51 10.530 10.537 -12.665 1.00 0.00 C ATOM 775 NH1 ARG A 51 10.199 10.263 -13.887 1.00 0.00 N ATOM 776 NH2 ARG A 51 11.527 9.919 -12.121 1.00 0.00 N ATOM 0 H ARG A 51 5.437 9.114 -10.729 1.00 0.00 H new ATOM 0 HA ARG A 51 5.909 11.623 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.644 10.408 -10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.694 10.547 -12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.875 13.075 -11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.984 12.824 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.395 11.760 -13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.136 13.215 -12.796 1.00 0.00 H new ATOM 0 HE ARG A 51 10.133 11.581 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.414 10.746 -14.323 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.724 9.564 -14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.794 10.129 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.047 9.222 -12.654 1.00 0.00 H new ATOM 790 N GLY A 52 4.243 13.175 -10.432 1.00 0.00 N ATOM 791 CA GLY A 52 3.307 14.129 -11.031 1.00 0.00 C ATOM 792 C GLY A 52 1.847 13.662 -11.027 1.00 0.00 C ATOM 793 O GLY A 52 1.071 14.026 -11.913 1.00 0.00 O ATOM 0 H GLY A 52 4.541 13.409 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.376 15.075 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.612 14.324 -12.059 1.00 0.00 H new ATOM 797 N GLN A 53 1.473 12.853 -10.038 1.00 0.00 N ATOM 798 CA GLN A 53 0.084 12.383 -9.895 1.00 0.00 C ATOM 799 C GLN A 53 -0.763 13.362 -9.055 1.00 0.00 C ATOM 800 O GLN A 53 -0.385 14.517 -8.857 1.00 0.00 O ATOM 801 CB GLN A 53 0.067 10.989 -9.244 1.00 0.00 C ATOM 802 CG GLN A 53 0.707 9.893 -10.087 1.00 0.00 C ATOM 803 CD GLN A 53 -0.060 9.584 -11.361 1.00 0.00 C ATOM 804 OE1 GLN A 53 -1.276 9.739 -11.427 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.640 9.125 -12.377 1.00 0.00 N ATOM 0 H GLN A 53 2.108 12.505 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.354 12.329 -10.892 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.584 11.042 -8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.966 10.712 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.723 10.192 -10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.785 8.985 -9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.649 9.008 -12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.173 8.887 -13.252 1.00 0.00 H new ATOM 814 N ALA A 54 -1.919 12.896 -8.579 1.00 0.00 N ATOM 815 CA ALA A 54 -2.783 13.703 -7.711 1.00 0.00 C ATOM 816 C ALA A 54 -3.421 12.851 -6.600 1.00 0.00 C ATOM 817 O ALA A 54 -3.899 11.745 -6.856 1.00 0.00 O ATOM 818 CB ALA A 54 -3.864 14.394 -8.538 1.00 0.00 C ATOM 0 H ALA A 54 -2.280 11.963 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.162 14.460 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.499 14.990 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.396 15.043 -9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.470 13.643 -9.045 1.00 0.00 H new ATOM 824 N ASN A 55 -3.425 13.382 -5.372 1.00 0.00 N ATOM 825 CA ASN A 55 -4.023 12.701 -4.205 1.00 0.00 C ATOM 826 C ASN A 55 -3.444 11.289 -3.987 1.00 0.00 C ATOM 827 O ASN A 55 -4.046 10.286 -4.378 1.00 0.00 O ATOM 828 CB ASN A 55 -5.550 12.635 -4.351 1.00 0.00 C ATOM 829 CG ASN A 55 -6.193 14.007 -4.432 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.665 14.964 -3.694 1.00 0.00 O flip ATOM 831 ND2 ASN A 55 -7.177 14.202 -5.135 1.00 0.00 N flip ATOM 0 H ASN A 55 -3.017 14.291 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.769 13.291 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.800 12.068 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.968 12.092 -3.503 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.563 13.442 -5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.611 15.125 -5.161 1.00 0.00 H new ATOM 838 N LEU A 56 -2.275 11.221 -3.353 1.00 0.00 N ATOM 839 CA LEU A 56 -1.579 9.946 -3.128 1.00 0.00 C ATOM 840 C LEU A 56 -1.614 9.540 -1.647 1.00 0.00 C ATOM 841 O LEU A 56 -1.115 10.262 -0.782 1.00 0.00 O ATOM 842 CB LEU A 56 -0.122 10.051 -3.606 1.00 0.00 C ATOM 843 CG LEU A 56 0.058 10.342 -5.105 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.537 10.490 -5.448 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.592 9.246 -5.951 1.00 0.00 C ATOM 0 H LEU A 56 -1.784 12.035 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.097 9.177 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.374 10.838 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.389 9.117 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.440 11.284 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.645 10.696 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.963 11.313 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.062 9.567 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.453 9.472 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.129 8.286 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.658 9.198 -5.728 1.00 0.00 H new ATOM 857 N VAL A 57 -2.204 8.381 -1.363 1.00 0.00 N ATOM 858 CA VAL A 57 -2.293 7.863 0.006 1.00 0.00 C ATOM 859 C VAL A 57 -1.299 6.711 0.230 1.00 0.00 C ATOM 860 O VAL A 57 -1.397 5.659 -0.406 1.00 0.00 O ATOM 861 CB VAL A 57 -3.720 7.352 0.333 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.846 7.005 1.819 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.776 8.375 -0.085 1.00 0.00 C ATOM 0 H VAL A 57 -2.631 7.777 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.049 8.694 0.667 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.894 6.441 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.855 6.649 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.127 6.226 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.645 7.893 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.768 7.993 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.608 9.310 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.706 8.553 -1.158 1.00 0.00 H new ATOM 873 N LEU A 58 -0.345 6.914 1.130 1.00 0.00 N ATOM 874 CA LEU A 58 0.637 5.879 1.460 1.00 0.00 C ATOM 875 C LEU A 58 0.124 4.965 2.584 1.00 0.00 C ATOM 876 O LEU A 58 -0.023 5.396 3.731 1.00 0.00 O ATOM 877 CB LEU A 58 1.969 6.520 1.877 1.00 0.00 C ATOM 878 CG LEU A 58 3.062 5.538 2.337 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.435 4.570 1.218 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.293 6.292 2.825 1.00 0.00 C ATOM 0 H LEU A 58 -0.227 7.785 1.647 1.00 0.00 H new ATOM 0 HA LEU A 58 0.794 5.272 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.354 7.097 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.775 7.225 2.685 1.00 0.00 H new ATOM 0 HG LEU A 58 2.662 4.957 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.209 3.888 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.555 3.999 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.808 5.131 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.053 5.579 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.689 6.905 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.019 6.932 3.664 1.00 0.00 H new ATOM 892 N LEU A 59 -0.159 3.709 2.249 1.00 0.00 N ATOM 893 CA LEU A 59 -0.562 2.718 3.251 1.00 0.00 C ATOM 894 C LEU A 59 0.666 2.103 3.935 1.00 0.00 C ATOM 895 O LEU A 59 1.514 1.492 3.280 1.00 0.00 O ATOM 896 CB LEU A 59 -1.417 1.613 2.610 1.00 0.00 C ATOM 897 CG LEU A 59 -2.729 2.090 1.961 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.548 0.903 1.456 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.539 2.931 2.945 1.00 0.00 C ATOM 0 H LEU A 59 -0.118 3.351 1.295 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.160 3.229 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.819 1.107 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.657 0.873 3.373 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.479 2.715 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.470 1.264 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.970 0.351 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.789 0.245 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.463 3.259 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.777 2.333 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.956 3.802 3.245 1.00 0.00 H new ATOM 911 N ALA A 60 0.760 2.278 5.250 1.00 0.00 N ATOM 912 CA ALA A 60 1.882 1.751 6.029 1.00 0.00 C ATOM 913 C ALA A 60 1.408 0.696 7.040 1.00 0.00 C ATOM 914 O ALA A 60 0.942 1.025 8.132 1.00 0.00 O ATOM 915 CB ALA A 60 2.603 2.890 6.741 1.00 0.00 C ATOM 0 H ALA A 60 0.069 2.784 5.804 1.00 0.00 H new ATOM 0 HA ALA A 60 2.577 1.266 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.436 2.489 7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.980 3.599 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.909 3.398 7.411 1.00 0.00 H new ATOM 921 N VAL A 61 1.510 -0.573 6.663 1.00 0.00 N ATOM 922 CA VAL A 61 1.082 -1.678 7.529 1.00 0.00 C ATOM 923 C VAL A 61 2.293 -2.410 8.118 1.00 0.00 C ATOM 924 O VAL A 61 3.281 -2.626 7.428 1.00 0.00 O ATOM 925 CB VAL A 61 0.213 -2.697 6.745 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.349 -3.774 7.675 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.908 -1.985 5.990 1.00 0.00 C ATOM 0 H VAL A 61 1.886 -0.868 5.762 1.00 0.00 H new ATOM 0 HA VAL A 61 0.490 -1.245 8.336 1.00 0.00 H new ATOM 0 HB VAL A 61 0.852 -3.192 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.954 -4.474 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.473 -4.310 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.967 -3.307 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.504 -2.719 5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.543 -1.453 6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.477 -1.274 5.285 1.00 0.00 H new ATOM 937 N GLU A 62 2.228 -2.785 9.388 1.00 0.00 N ATOM 938 CA GLU A 62 3.312 -3.552 10.001 1.00 0.00 C ATOM 939 C GLU A 62 3.070 -5.058 9.828 1.00 0.00 C ATOM 940 O GLU A 62 2.005 -5.562 10.179 1.00 0.00 O ATOM 941 CB GLU A 62 3.475 -3.172 11.479 1.00 0.00 C ATOM 942 CG GLU A 62 3.719 -1.678 11.683 1.00 0.00 C ATOM 943 CD GLU A 62 4.316 -1.344 13.038 1.00 0.00 C ATOM 944 OE1 GLU A 62 3.559 -1.224 14.024 1.00 0.00 O ATOM 945 OE2 GLU A 62 5.553 -1.214 13.128 1.00 0.00 O ATOM 0 H GLU A 62 1.448 -2.576 10.011 1.00 0.00 H new ATOM 0 HA GLU A 62 4.245 -3.306 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.580 -3.467 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.308 -3.733 11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.387 -1.316 10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.775 -1.144 11.568 1.00 0.00 H new ATOM 952 N ALA A 63 4.081 -5.757 9.288 1.00 0.00 N ATOM 953 CA ALA A 63 3.967 -7.171 8.872 1.00 0.00 C ATOM 954 C ALA A 63 3.076 -8.024 9.792 1.00 0.00 C ATOM 955 O ALA A 63 2.180 -8.722 9.309 1.00 0.00 O ATOM 956 CB ALA A 63 5.352 -7.797 8.769 1.00 0.00 C ATOM 0 H ALA A 63 5.006 -5.359 9.125 1.00 0.00 H new ATOM 0 HA ALA A 63 3.478 -7.160 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.259 -8.839 8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.943 -7.253 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.847 -7.748 9.739 1.00 0.00 H new ATOM 962 N GLU A 64 3.353 -7.991 11.101 1.00 0.00 N ATOM 963 CA GLU A 64 2.531 -8.694 12.102 1.00 0.00 C ATOM 964 C GLU A 64 2.672 -10.234 11.979 1.00 0.00 C ATOM 965 O GLU A 64 2.627 -10.788 10.877 1.00 0.00 O ATOM 966 CB GLU A 64 1.050 -8.278 11.950 1.00 0.00 C ATOM 967 CG GLU A 64 0.141 -8.690 13.108 1.00 0.00 C ATOM 968 CD GLU A 64 0.400 -7.896 14.379 1.00 0.00 C ATOM 969 OE1 GLU A 64 0.380 -6.646 14.318 1.00 0.00 O ATOM 970 OE2 GLU A 64 0.602 -8.516 15.447 1.00 0.00 O ATOM 0 H GLU A 64 4.144 -7.483 11.497 1.00 0.00 H new ATOM 0 HA GLU A 64 2.888 -8.409 13.092 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.002 -7.195 11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.659 -8.711 11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.899 -8.559 12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.283 -9.751 13.314 1.00 0.00 H new ATOM 977 N PRO A 65 2.864 -10.953 13.108 1.00 0.00 N ATOM 978 CA PRO A 65 2.916 -12.431 13.111 1.00 0.00 C ATOM 979 C PRO A 65 1.533 -13.082 12.876 1.00 0.00 C ATOM 980 O PRO A 65 1.097 -13.946 13.640 1.00 0.00 O ATOM 981 CB PRO A 65 3.449 -12.755 14.517 1.00 0.00 C ATOM 982 CG PRO A 65 3.018 -11.601 15.355 1.00 0.00 C ATOM 983 CD PRO A 65 3.078 -10.392 14.457 1.00 0.00 C ATOM 0 HA PRO A 65 3.535 -12.822 12.304 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.038 -13.693 14.891 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.534 -12.861 14.515 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.009 -11.753 15.739 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.673 -11.479 16.218 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.310 -9.662 14.715 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.039 -9.883 14.532 1.00 0.00 H new ATOM 991 N LEU A 66 0.868 -12.677 11.792 1.00 0.00 N ATOM 992 CA LEU A 66 -0.463 -13.193 11.432 1.00 0.00 C ATOM 993 C LEU A 66 -0.440 -14.704 11.132 1.00 0.00 C ATOM 994 O LEU A 66 -1.463 -15.384 11.231 1.00 0.00 O ATOM 995 CB LEU A 66 -0.993 -12.432 10.205 1.00 0.00 C ATOM 996 CG LEU A 66 -1.209 -10.922 10.404 1.00 0.00 C ATOM 997 CD1 LEU A 66 -1.446 -10.227 9.063 1.00 0.00 C ATOM 998 CD2 LEU A 66 -2.378 -10.666 11.355 1.00 0.00 C ATOM 0 H LEU A 66 1.232 -11.984 11.138 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.120 -13.038 12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.295 -12.576 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.940 -12.880 9.903 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.306 -10.505 10.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.596 -9.160 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.580 -10.376 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.331 -10.649 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.515 -9.592 11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.287 -11.101 10.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.167 -11.123 12.322 1.00 0.00 H new ATOM 1010 N GLY A 67 0.731 -15.220 10.766 1.00 0.00 N ATOM 1011 CA GLY A 67 0.859 -16.629 10.409 1.00 0.00 C ATOM 1012 C GLY A 67 1.772 -16.841 9.209 1.00 0.00 C ATOM 1013 O GLY A 67 2.980 -17.032 9.366 1.00 0.00 O ATOM 0 H GLY A 67 1.599 -14.687 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.250 -17.184 11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.128 -17.037 10.189 1.00 0.00 H new ATOM 1017 N GLU A 68 1.197 -16.797 8.009 1.00 0.00 N ATOM 1018 CA GLU A 68 1.967 -16.930 6.765 1.00 0.00 C ATOM 1019 C GLU A 68 1.282 -16.134 5.635 1.00 0.00 C ATOM 1020 O GLU A 68 1.435 -16.420 4.446 1.00 0.00 O ATOM 1021 CB GLU A 68 2.108 -18.418 6.403 1.00 0.00 C ATOM 1022 CG GLU A 68 3.087 -18.698 5.266 1.00 0.00 C ATOM 1023 CD GLU A 68 3.353 -20.182 5.079 1.00 0.00 C ATOM 1024 OE1 GLU A 68 2.531 -20.865 4.433 1.00 0.00 O ATOM 1025 OE2 GLU A 68 4.387 -20.675 5.581 1.00 0.00 O ATOM 0 H GLU A 68 0.195 -16.670 7.867 1.00 0.00 H new ATOM 0 HA GLU A 68 2.967 -16.518 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.431 -18.966 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.128 -18.807 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.690 -18.284 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.028 -18.186 5.467 1.00 0.00 H new ATOM 1032 N ASP A 69 0.535 -15.113 6.042 1.00 0.00 N ATOM 1033 CA ASP A 69 -0.192 -14.238 5.120 1.00 0.00 C ATOM 1034 C ASP A 69 0.766 -13.465 4.203 1.00 0.00 C ATOM 1035 O ASP A 69 0.527 -13.327 3.002 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.040 -13.247 5.925 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.921 -13.939 6.951 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.377 -14.615 7.847 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -3.156 -13.798 6.874 1.00 0.00 O ATOM 0 H ASP A 69 0.414 -14.866 7.024 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.830 -14.860 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.384 -12.539 6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.665 -12.670 5.243 1.00 0.00 H new ATOM 1044 N LEU A 70 1.848 -12.958 4.789 1.00 0.00 N ATOM 1045 CA LEU A 70 2.831 -12.161 4.052 1.00 0.00 C ATOM 1046 C LEU A 70 4.059 -13.008 3.676 1.00 0.00 C ATOM 1047 O LEU A 70 4.888 -13.335 4.530 1.00 0.00 O ATOM 1048 CB LEU A 70 3.258 -10.952 4.896 1.00 0.00 C ATOM 1049 CG LEU A 70 3.979 -9.835 4.127 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.025 -9.176 3.131 1.00 0.00 C ATOM 1051 CD2 LEU A 70 4.556 -8.803 5.093 1.00 0.00 C ATOM 0 H LEU A 70 2.069 -13.085 5.777 1.00 0.00 H new ATOM 0 HA LEU A 70 2.369 -11.810 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.372 -10.530 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.912 -11.301 5.695 1.00 0.00 H new ATOM 0 HG LEU A 70 4.807 -10.274 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.549 -8.386 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.667 -9.922 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.177 -8.749 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.063 -8.020 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.750 -8.363 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.268 -9.288 5.761 1.00 0.00 H new ATOM 1063 N LYS A 71 4.159 -13.366 2.401 1.00 0.00 N ATOM 1064 CA LYS A 71 5.254 -14.206 1.903 1.00 0.00 C ATOM 1065 C LYS A 71 6.294 -13.360 1.143 1.00 0.00 C ATOM 1066 O LYS A 71 6.034 -12.879 0.038 1.00 0.00 O ATOM 1067 CB LYS A 71 4.666 -15.298 0.992 1.00 0.00 C ATOM 1068 CG LYS A 71 5.615 -16.453 0.675 1.00 0.00 C ATOM 1069 CD LYS A 71 4.915 -17.523 -0.166 1.00 0.00 C ATOM 1070 CE LYS A 71 5.775 -18.769 -0.370 1.00 0.00 C ATOM 1071 NZ LYS A 71 6.974 -18.510 -1.209 1.00 0.00 N ATOM 0 H LYS A 71 3.490 -13.087 1.683 1.00 0.00 H new ATOM 0 HA LYS A 71 5.766 -14.671 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.771 -15.702 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.351 -14.838 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.486 -16.076 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.979 -16.895 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.981 -17.807 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.655 -17.103 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.092 -19.149 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.172 -19.549 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.529 -19.385 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.675 -18.190 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.558 -17.774 -0.762 1.00 0.00 H new ATOM 1085 N TRP A 72 7.465 -13.163 1.749 1.00 0.00 N ATOM 1086 CA TRP A 72 8.528 -12.348 1.142 1.00 0.00 C ATOM 1087 C TRP A 72 9.201 -13.084 -0.023 1.00 0.00 C ATOM 1088 O TRP A 72 9.875 -14.095 0.175 1.00 0.00 O ATOM 1089 CB TRP A 72 9.577 -11.964 2.195 1.00 0.00 C ATOM 1090 CG TRP A 72 9.049 -11.039 3.250 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.276 -11.373 4.323 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.260 -9.623 3.329 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.992 -10.255 5.066 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.587 -9.167 4.478 1.00 0.00 C ATOM 1095 CE3 TRP A 72 9.956 -8.698 2.541 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.586 -7.828 4.858 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.954 -7.368 2.919 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.274 -6.944 4.070 1.00 0.00 C ATOM 0 H TRP A 72 7.705 -13.555 2.660 1.00 0.00 H new ATOM 0 HA TRP A 72 8.066 -11.442 0.750 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.952 -12.870 2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.424 -11.491 1.698 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.937 -12.372 4.554 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.430 -10.236 5.917 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.484 -9.017 1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.062 -7.498 5.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.485 -6.644 2.318 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.293 -5.899 4.341 1.00 0.00 H new ATOM 1109 N GLU A 73 9.006 -12.577 -1.238 1.00 0.00 N ATOM 1110 CA GLU A 73 9.566 -13.202 -2.444 1.00 0.00 C ATOM 1111 C GLU A 73 10.097 -12.141 -3.420 1.00 0.00 C ATOM 1112 O GLU A 73 9.439 -11.131 -3.683 1.00 0.00 O ATOM 1113 CB GLU A 73 8.496 -14.062 -3.130 1.00 0.00 C ATOM 1114 CG GLU A 73 7.956 -15.188 -2.252 1.00 0.00 C ATOM 1115 CD GLU A 73 6.715 -15.842 -2.829 1.00 0.00 C ATOM 1116 OE1 GLU A 73 5.616 -15.287 -2.655 1.00 0.00 O ATOM 1117 OE2 GLU A 73 6.831 -16.918 -3.448 1.00 0.00 O ATOM 0 H GLU A 73 8.463 -11.732 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 73 10.401 -13.835 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.668 -13.422 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.916 -14.492 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.731 -15.943 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.726 -14.792 -1.263 1.00 0.00 H new ATOM 1124 N ALA A 74 11.295 -12.371 -3.946 1.00 0.00 N ATOM 1125 CA ALA A 74 11.924 -11.439 -4.883 1.00 0.00 C ATOM 1126 C ALA A 74 11.216 -11.427 -6.247 1.00 0.00 C ATOM 1127 O ALA A 74 11.477 -12.274 -7.103 1.00 0.00 O ATOM 1128 CB ALA A 74 13.398 -11.783 -5.049 1.00 0.00 C ATOM 0 H ALA A 74 11.855 -13.198 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 74 11.833 -10.436 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.858 -11.085 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.899 -11.713 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.494 -12.798 -5.435 1.00 0.00 H new ATOM 1134 N SER A 75 10.314 -10.464 -6.439 1.00 0.00 N ATOM 1135 CA SER A 75 9.580 -10.325 -7.709 1.00 0.00 C ATOM 1136 C SER A 75 10.497 -9.864 -8.852 1.00 0.00 C ATOM 1137 O SER A 75 10.201 -10.093 -10.025 1.00 0.00 O ATOM 1138 CB SER A 75 8.411 -9.333 -7.566 1.00 0.00 C ATOM 1139 OG SER A 75 7.450 -9.784 -6.622 1.00 0.00 O ATOM 0 H SER A 75 10.070 -9.767 -5.736 1.00 0.00 H new ATOM 0 HA SER A 75 9.190 -11.313 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.795 -8.361 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.932 -9.194 -8.535 1.00 0.00 H new ATOM 0 HG SER A 75 6.984 -10.569 -6.979 1.00 0.00 H new ATOM 1145 N ARG A 76 11.606 -9.202 -8.507 1.00 0.00 N ATOM 1146 CA ARG A 76 12.565 -8.711 -9.513 1.00 0.00 C ATOM 1147 C ARG A 76 13.955 -9.348 -9.323 1.00 0.00 C ATOM 1148 O ARG A 76 14.973 -8.752 -9.674 1.00 0.00 O ATOM 1149 CB ARG A 76 12.681 -7.178 -9.436 1.00 0.00 C ATOM 1150 CG ARG A 76 11.353 -6.439 -9.587 1.00 0.00 C ATOM 1151 CD ARG A 76 11.544 -4.921 -9.589 1.00 0.00 C ATOM 1152 NE ARG A 76 12.057 -4.423 -10.867 1.00 0.00 N ATOM 1153 CZ ARG A 76 13.292 -4.059 -11.091 1.00 0.00 C ATOM 1154 NH1 ARG A 76 14.196 -4.177 -10.171 1.00 0.00 N ATOM 1155 NH2 ARG A 76 13.620 -3.582 -12.248 1.00 0.00 N ATOM 0 H ARG A 76 11.865 -8.992 -7.543 1.00 0.00 H new ATOM 0 HA ARG A 76 12.190 -8.997 -10.495 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.128 -6.907 -8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.364 -6.837 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.870 -6.746 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.686 -6.720 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.592 -4.438 -9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.233 -4.643 -8.791 1.00 0.00 H new ATOM 0 HE ARG A 76 11.399 -4.355 -11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.948 -4.558 -9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.156 -3.889 -10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.916 -3.491 -12.980 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.583 -3.297 -12.428 1.00 0.00 H new ATOM 1169 N GLY A 77 13.989 -10.563 -8.776 1.00 0.00 N ATOM 1170 CA GLY A 77 15.258 -11.256 -8.561 1.00 0.00 C ATOM 1171 C GLY A 77 16.079 -10.676 -7.408 1.00 0.00 C ATOM 1172 O GLY A 77 16.074 -11.210 -6.299 1.00 0.00 O ATOM 0 H GLY A 77 13.163 -11.082 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.059 -12.309 -8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.848 -11.210 -9.476 1.00 0.00 H new ATOM 1176 N GLY A 78 16.791 -9.585 -7.671 1.00 0.00 N ATOM 1177 CA GLY A 78 17.579 -8.933 -6.630 1.00 0.00 C ATOM 1178 C GLY A 78 16.717 -8.199 -5.603 1.00 0.00 C ATOM 1179 O GLY A 78 16.969 -8.271 -4.398 1.00 0.00 O ATOM 0 H GLY A 78 16.839 -9.137 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.186 -9.680 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.267 -8.225 -7.092 1.00 0.00 H new ATOM 1183 N ALA A 79 15.700 -7.486 -6.081 1.00 0.00 N ATOM 1184 CA ALA A 79 14.781 -6.753 -5.199 1.00 0.00 C ATOM 1185 C ALA A 79 13.645 -7.655 -4.686 1.00 0.00 C ATOM 1186 O ALA A 79 12.879 -8.218 -5.475 1.00 0.00 O ATOM 1187 CB ALA A 79 14.204 -5.545 -5.933 1.00 0.00 C ATOM 0 H ALA A 79 15.487 -7.397 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 79 15.349 -6.413 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.524 -5.008 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.014 -4.882 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.661 -5.881 -6.816 1.00 0.00 H new ATOM 1193 N ARG A 80 13.534 -7.780 -3.362 1.00 0.00 N ATOM 1194 CA ARG A 80 12.489 -8.609 -2.747 1.00 0.00 C ATOM 1195 C ARG A 80 11.180 -7.825 -2.576 1.00 0.00 C ATOM 1196 O ARG A 80 11.189 -6.606 -2.398 1.00 0.00 O ATOM 1197 CB ARG A 80 12.949 -9.143 -1.382 1.00 0.00 C ATOM 1198 CG ARG A 80 14.272 -9.903 -1.419 1.00 0.00 C ATOM 1199 CD ARG A 80 14.571 -10.590 -0.087 1.00 0.00 C ATOM 1200 NE ARG A 80 14.496 -9.671 1.050 1.00 0.00 N ATOM 1201 CZ ARG A 80 14.573 -10.046 2.299 1.00 0.00 C ATOM 1202 NH1 ARG A 80 14.740 -11.294 2.603 1.00 0.00 N ATOM 1203 NH2 ARG A 80 14.480 -9.170 3.244 1.00 0.00 N ATOM 0 H ARG A 80 14.152 -7.320 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 80 12.306 -9.449 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.043 -8.306 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.177 -9.801 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.240 -10.649 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.080 -9.213 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 80 13.864 -11.406 0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.566 -11.033 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 80 14.376 -8.677 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.813 -11.994 1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.799 -11.577 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.346 -8.185 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.540 -9.463 4.219 1.00 0.00 H new ATOM 1217 N PHE A 81 10.054 -8.533 -2.641 1.00 0.00 N ATOM 1218 CA PHE A 81 8.734 -7.917 -2.461 1.00 0.00 C ATOM 1219 C PHE A 81 7.831 -8.777 -1.557 1.00 0.00 C ATOM 1220 O PHE A 81 7.641 -9.969 -1.813 1.00 0.00 O ATOM 1221 CB PHE A 81 8.047 -7.701 -3.820 1.00 0.00 C ATOM 1222 CG PHE A 81 8.677 -6.613 -4.656 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.778 -6.878 -5.457 1.00 0.00 C ATOM 1224 CD2 PHE A 81 8.165 -5.322 -4.636 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.355 -5.880 -6.217 1.00 0.00 C ATOM 1226 CE2 PHE A 81 8.739 -4.322 -5.395 1.00 0.00 C ATOM 1227 CZ PHE A 81 9.835 -4.600 -6.187 1.00 0.00 C ATOM 0 H PHE A 81 10.026 -9.537 -2.817 1.00 0.00 H new ATOM 0 HA PHE A 81 8.888 -6.952 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.069 -8.636 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.998 -7.455 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.189 -7.876 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.307 -5.098 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.213 -6.100 -6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.331 -3.322 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.285 -3.819 -6.782 1.00 0.00 H new ATOM 1237 N PRO A 82 7.271 -8.189 -0.481 1.00 0.00 N ATOM 1238 CA PRO A 82 6.321 -8.894 0.400 1.00 0.00 C ATOM 1239 C PRO A 82 4.972 -9.181 -0.295 1.00 0.00 C ATOM 1240 O PRO A 82 4.208 -8.264 -0.607 1.00 0.00 O ATOM 1241 CB PRO A 82 6.144 -7.921 1.577 1.00 0.00 C ATOM 1242 CG PRO A 82 6.465 -6.577 1.015 1.00 0.00 C ATOM 1243 CD PRO A 82 7.527 -6.806 -0.028 1.00 0.00 C ATOM 0 HA PRO A 82 6.687 -9.876 0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.127 -7.954 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.810 -8.174 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.580 -6.116 0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.822 -5.903 1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.445 -6.093 -0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.529 -6.699 0.388 1.00 0.00 H new ATOM 1251 N HIS A 83 4.692 -10.460 -0.549 1.00 0.00 N ATOM 1252 CA HIS A 83 3.457 -10.869 -1.233 1.00 0.00 C ATOM 1253 C HIS A 83 2.323 -11.168 -0.235 1.00 0.00 C ATOM 1254 O HIS A 83 2.540 -11.804 0.793 1.00 0.00 O ATOM 1255 CB HIS A 83 3.716 -12.113 -2.098 1.00 0.00 C ATOM 1256 CG HIS A 83 4.730 -11.910 -3.189 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.192 -12.936 -3.984 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.358 -10.792 -3.630 1.00 0.00 C ATOM 1259 CE1 HIS A 83 6.052 -12.463 -4.862 1.00 0.00 C ATOM 1260 NE2 HIS A 83 6.174 -11.165 -4.671 1.00 0.00 N ATOM 0 H HIS A 83 5.303 -11.235 -0.292 1.00 0.00 H new ATOM 0 HA HIS A 83 3.145 -10.037 -1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.051 -12.925 -1.453 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.775 -12.430 -2.548 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.911 -13.913 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.239 -9.793 -3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.570 -13.042 -5.612 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.775 -10.540 -5.208 1.00 0.00 H new ATOM 1269 N LEU A 84 1.117 -10.707 -0.553 1.00 0.00 N ATOM 1270 CA LEU A 84 -0.071 -10.976 0.263 1.00 0.00 C ATOM 1271 C LEU A 84 -1.099 -11.791 -0.545 1.00 0.00 C ATOM 1272 O LEU A 84 -1.592 -11.338 -1.579 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.694 -9.653 0.738 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.925 -9.790 1.651 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.574 -10.539 2.935 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -2.516 -8.416 1.965 1.00 0.00 C ATOM 0 H LEU A 84 0.932 -10.138 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 84 0.225 -11.558 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.068 -9.083 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.976 -9.069 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.678 -10.373 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.462 -10.622 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.211 -11.536 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.799 -9.994 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.386 -8.533 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.768 -7.805 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.817 -7.929 1.038 1.00 0.00 H new ATOM 1288 N TYR A 85 -1.419 -12.993 -0.068 1.00 0.00 N ATOM 1289 CA TYR A 85 -2.296 -13.917 -0.803 1.00 0.00 C ATOM 1290 C TYR A 85 -3.763 -13.837 -0.340 1.00 0.00 C ATOM 1291 O TYR A 85 -4.474 -14.844 -0.292 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.748 -15.344 -0.674 1.00 0.00 C ATOM 1293 CG TYR A 85 -0.438 -15.534 -1.420 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.768 -15.093 -0.882 1.00 0.00 C ATOM 1295 CD2 TYR A 85 -0.412 -16.134 -2.675 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.955 -15.245 -1.574 1.00 0.00 C ATOM 1297 CE2 TYR A 85 0.772 -16.293 -3.367 1.00 0.00 C ATOM 1298 CZ TYR A 85 1.951 -15.845 -2.815 1.00 0.00 C ATOM 1299 OH TYR A 85 3.130 -15.992 -3.509 1.00 0.00 O ATOM 0 H TYR A 85 -1.086 -13.355 0.826 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.297 -13.620 -1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.599 -15.579 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.486 -16.049 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.776 -14.625 0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.335 -16.482 -3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.882 -14.895 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.773 -16.767 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 85 3.873 -15.654 -2.967 1.00 0.00 H new ATOM 1309 N ARG A 86 -4.210 -12.623 -0.029 1.00 0.00 N ATOM 1310 CA ARG A 86 -5.619 -12.353 0.285 1.00 0.00 C ATOM 1311 C ARG A 86 -5.902 -10.842 0.217 1.00 0.00 C ATOM 1312 O ARG A 86 -4.987 -10.034 0.369 1.00 0.00 O ATOM 1313 CB ARG A 86 -6.000 -12.904 1.671 1.00 0.00 C ATOM 1314 CG ARG A 86 -5.191 -12.332 2.832 1.00 0.00 C ATOM 1315 CD ARG A 86 -5.788 -12.742 4.178 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.930 -12.370 5.301 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.201 -11.435 6.171 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -6.282 -10.729 6.086 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -4.389 -11.222 7.151 1.00 0.00 N ATOM 0 H ARG A 86 -3.612 -11.798 0.014 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.231 -12.863 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.056 -12.702 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.879 -13.987 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.160 -12.681 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.165 -11.245 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.764 -12.272 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.949 -13.820 4.188 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.053 -12.879 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.943 -10.898 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.473 -10.004 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.542 -11.782 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.594 -10.493 7.834 1.00 0.00 H new ATOM 1333 N PRO A 87 -7.166 -10.434 -0.032 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.536 -9.006 -0.107 1.00 0.00 C ATOM 1335 C PRO A 87 -7.205 -8.231 1.185 1.00 0.00 C ATOM 1336 O PRO A 87 -7.263 -8.780 2.288 1.00 0.00 O ATOM 1337 CB PRO A 87 -9.054 -9.036 -0.362 1.00 0.00 C ATOM 1338 CG PRO A 87 -9.491 -10.410 0.035 1.00 0.00 C ATOM 1339 CD PRO A 87 -8.326 -11.311 -0.271 1.00 0.00 C ATOM 0 HA PRO A 87 -6.976 -8.486 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.567 -8.274 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.281 -8.838 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.749 -10.449 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.378 -10.715 -0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.311 -12.188 0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.354 -11.674 -1.298 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.878 -6.946 1.041 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.395 -6.136 2.167 1.00 0.00 C ATOM 1349 C LEU A 88 -7.543 -5.410 2.883 1.00 0.00 C ATOM 1350 O LEU A 88 -8.065 -4.410 2.394 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.353 -5.117 1.675 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.733 -4.224 2.765 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.999 -5.071 3.806 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.794 -3.193 2.141 1.00 0.00 C ATOM 0 H LEU A 88 -6.938 -6.441 0.157 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.932 -6.813 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.551 -5.658 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.822 -4.476 0.928 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.537 -3.690 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.569 -4.420 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.701 -5.761 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.204 -5.636 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.364 -2.570 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.994 -3.706 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.352 -2.567 1.445 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.938 -5.923 4.043 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.980 -5.284 4.856 1.00 0.00 C ATOM 1368 C LEU A 89 -8.504 -3.921 5.390 1.00 0.00 C ATOM 1369 O LEU A 89 -7.347 -3.772 5.779 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.354 -6.193 6.040 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.803 -7.617 5.669 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.065 -8.443 6.923 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -11.040 -7.580 4.779 1.00 0.00 C ATOM 0 H LEU A 89 -7.556 -6.779 4.446 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.853 -5.126 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.494 -6.264 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.155 -5.714 6.604 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.997 -8.092 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.381 -9.446 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.152 -8.505 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.849 -7.969 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.339 -8.598 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.853 -7.082 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.813 -7.034 3.863 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.394 -2.929 5.421 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.050 -1.620 5.995 1.00 0.00 C ATOM 1387 C VAL A 90 -8.708 -1.762 7.488 1.00 0.00 C ATOM 1388 O VAL A 90 -7.798 -1.112 7.999 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.196 -0.591 5.807 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.855 0.747 6.465 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.498 -0.394 4.323 1.00 0.00 C ATOM 0 H VAL A 90 -10.346 -3.000 5.062 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.176 -1.248 5.460 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.085 -0.988 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.678 1.446 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.696 0.597 7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.948 1.153 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.304 0.331 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.606 -0.027 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.800 -1.345 3.884 1.00 0.00 H new ATOM 1401 N SER A 91 -9.419 -2.661 8.166 1.00 0.00 N ATOM 1402 CA SER A 91 -9.157 -2.961 9.582 1.00 0.00 C ATOM 1403 C SER A 91 -7.850 -3.750 9.770 1.00 0.00 C ATOM 1404 O SER A 91 -7.479 -4.097 10.890 1.00 0.00 O ATOM 1405 CB SER A 91 -10.327 -3.754 10.181 1.00 0.00 C ATOM 1406 OG SER A 91 -11.557 -3.074 9.986 1.00 0.00 O ATOM 0 H SER A 91 -10.185 -3.199 7.760 1.00 0.00 H new ATOM 0 HA SER A 91 -9.052 -2.008 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.376 -4.740 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.158 -3.908 11.247 1.00 0.00 H new ATOM 0 HG SER A 91 -12.287 -3.600 10.375 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.164 -4.046 8.668 1.00 0.00 N ATOM 1413 CA GLU A 92 -5.875 -4.748 8.715 1.00 0.00 C ATOM 1414 C GLU A 92 -4.709 -3.745 8.640 1.00 0.00 C ATOM 1415 O GLU A 92 -3.572 -4.061 8.992 1.00 0.00 O ATOM 1416 CB GLU A 92 -5.785 -5.748 7.547 1.00 0.00 C ATOM 1417 CG GLU A 92 -4.701 -6.811 7.707 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.084 -7.889 8.712 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.947 -7.655 9.932 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.544 -8.971 8.281 1.00 0.00 O ATOM 0 H GLU A 92 -7.478 -3.811 7.726 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.805 -5.288 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.749 -6.244 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.601 -5.196 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.505 -7.274 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.774 -6.335 8.026 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.017 -2.527 8.193 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.006 -1.486 7.975 1.00 0.00 C ATOM 1429 C VAL A 93 -3.574 -0.814 9.291 1.00 0.00 C ATOM 1430 O VAL A 93 -4.394 -0.247 10.012 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.535 -0.405 6.998 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.486 0.679 6.753 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -4.984 -1.042 5.681 1.00 0.00 C ATOM 0 H VAL A 93 -5.968 -2.233 7.972 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.136 -1.979 7.542 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.400 0.072 7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.886 1.423 6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.231 1.159 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.592 0.229 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.352 -0.267 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.140 -1.553 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.780 -1.760 5.877 1.00 0.00 H new ATOM 1443 N THR A 94 -2.277 -0.881 9.591 1.00 0.00 N ATOM 1444 CA THR A 94 -1.725 -0.272 10.806 1.00 0.00 C ATOM 1445 C THR A 94 -1.794 1.263 10.758 1.00 0.00 C ATOM 1446 O THR A 94 -2.358 1.896 11.652 1.00 0.00 O ATOM 1447 CB THR A 94 -0.251 -0.694 11.027 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.115 -2.117 10.873 1.00 0.00 O ATOM 1449 CG2 THR A 94 0.238 -0.283 12.414 1.00 0.00 C ATOM 0 H THR A 94 -1.585 -1.352 9.008 1.00 0.00 H new ATOM 0 HA THR A 94 -2.337 -0.631 11.633 1.00 0.00 H new ATOM 0 HB THR A 94 0.358 -0.185 10.280 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.502 -2.462 11.552 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.276 -0.592 12.540 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.167 0.800 12.519 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.379 -0.763 13.174 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.200 1.862 9.718 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.202 3.326 9.556 1.00 0.00 C ATOM 1459 C ARG A 95 -1.417 3.736 8.088 1.00 0.00 C ATOM 1460 O ARG A 95 -1.230 2.935 7.170 1.00 0.00 O ATOM 1461 CB ARG A 95 0.121 3.937 10.051 1.00 0.00 C ATOM 1462 CG ARG A 95 0.514 3.529 11.468 1.00 0.00 C ATOM 1463 CD ARG A 95 1.662 4.380 12.003 1.00 0.00 C ATOM 1464 NE ARG A 95 1.240 5.763 12.247 1.00 0.00 N ATOM 1465 CZ ARG A 95 2.011 6.808 12.112 1.00 0.00 C ATOM 1466 NH1 ARG A 95 3.237 6.679 11.714 1.00 0.00 N ATOM 1467 NH2 ARG A 95 1.551 7.988 12.380 1.00 0.00 N ATOM 0 H ARG A 95 -0.712 1.359 8.977 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.030 3.705 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.919 3.646 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.044 5.023 10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.349 3.626 12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.805 2.479 11.477 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.038 3.945 12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.486 4.371 11.289 1.00 0.00 H new ATOM 0 HE ARG A 95 0.277 5.920 12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.610 5.753 11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.830 7.503 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.588 8.100 12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.152 8.806 12.275 1.00 0.00 H new ATOM 1481 N GLU A 96 -1.790 4.997 7.881 1.00 0.00 N ATOM 1482 CA GLU A 96 -1.977 5.556 6.533 1.00 0.00 C ATOM 1483 C GLU A 96 -1.677 7.063 6.529 1.00 0.00 C ATOM 1484 O GLU A 96 -1.710 7.708 7.577 1.00 0.00 O ATOM 1485 CB GLU A 96 -3.414 5.307 6.041 1.00 0.00 C ATOM 1486 CG GLU A 96 -4.482 5.992 6.888 1.00 0.00 C ATOM 1487 CD GLU A 96 -5.892 5.767 6.364 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.342 6.532 5.487 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.567 4.830 6.830 1.00 0.00 O ATOM 0 H GLU A 96 -1.972 5.661 8.634 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.282 5.057 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.501 5.655 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.604 4.234 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.418 5.623 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.280 7.063 6.922 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.374 7.627 5.360 1.00 0.00 N ATOM 1497 CA ALA A 97 -1.094 9.067 5.259 1.00 0.00 C ATOM 1498 C ALA A 97 -1.264 9.603 3.830 1.00 0.00 C ATOM 1499 O ALA A 97 -0.616 9.128 2.897 1.00 0.00 O ATOM 1500 CB ALA A 97 0.315 9.364 5.762 1.00 0.00 C ATOM 0 H ALA A 97 -1.315 7.120 4.477 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.826 9.579 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.512 10.433 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.402 9.055 6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.039 8.816 5.159 1.00 0.00 H new ATOM 1506 N ASP A 98 -2.137 10.596 3.671 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.301 11.293 2.392 1.00 0.00 C ATOM 1508 C ASP A 98 -1.139 12.271 2.144 1.00 0.00 C ATOM 1509 O ASP A 98 -1.069 13.341 2.756 1.00 0.00 O ATOM 1510 CB ASP A 98 -3.632 12.058 2.370 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.841 11.139 2.390 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -5.049 10.446 3.407 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -5.598 11.121 1.393 1.00 0.00 O ATOM 0 H ASP A 98 -2.745 10.939 4.414 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.301 10.545 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.676 12.726 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.672 12.683 1.478 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.224 11.903 1.253 1.00 0.00 N ATOM 1519 CA LEU A 99 0.900 12.777 0.892 1.00 0.00 C ATOM 1520 C LEU A 99 1.047 12.879 -0.639 1.00 0.00 C ATOM 1521 O LEU A 99 1.693 12.063 -1.293 1.00 0.00 O ATOM 1522 CB LEU A 99 2.216 12.345 1.612 1.00 0.00 C ATOM 1523 CG LEU A 99 2.860 10.965 1.278 1.00 0.00 C ATOM 1524 CD1 LEU A 99 1.830 9.905 0.902 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.939 11.097 0.201 1.00 0.00 C ATOM 0 H LEU A 99 -0.234 11.007 0.765 1.00 0.00 H new ATOM 0 HA LEU A 99 0.684 13.784 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.964 13.111 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.022 12.363 2.684 1.00 0.00 H new ATOM 0 HG LEU A 99 3.338 10.621 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.338 8.966 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.140 9.757 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.274 10.233 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.367 10.116 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.497 11.501 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.723 11.768 0.552 1.00 0.00 H new ATOM 1537 N ASP A 100 0.395 13.884 -1.212 1.00 0.00 N ATOM 1538 CA ASP A 100 0.372 14.059 -2.660 1.00 0.00 C ATOM 1539 C ASP A 100 1.522 14.958 -3.146 1.00 0.00 C ATOM 1540 O ASP A 100 1.410 16.184 -3.181 1.00 0.00 O ATOM 1541 CB ASP A 100 -0.999 14.596 -3.104 1.00 0.00 C ATOM 1542 CG ASP A 100 -1.436 15.832 -2.335 1.00 0.00 C ATOM 1543 OD1 ASP A 100 -1.719 15.713 -1.122 1.00 0.00 O ATOM 1544 OD2 ASP A 100 -1.503 16.922 -2.935 1.00 0.00 O ATOM 0 H ASP A 100 -0.126 14.592 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 100 0.525 13.085 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.962 14.832 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.747 13.813 -2.977 1.00 0.00 H new ATOM 1549 N LEU A 101 2.649 14.320 -3.470 1.00 0.00 N ATOM 1550 CA LEU A 101 3.801 14.997 -4.084 1.00 0.00 C ATOM 1551 C LEU A 101 4.420 16.084 -3.184 1.00 0.00 C ATOM 1552 O LEU A 101 4.100 16.203 -1.999 1.00 0.00 O ATOM 1553 CB LEU A 101 3.396 15.612 -5.434 1.00 0.00 C ATOM 1554 CG LEU A 101 2.772 14.632 -6.436 1.00 0.00 C ATOM 1555 CD1 LEU A 101 2.511 15.320 -7.771 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.663 13.407 -6.615 1.00 0.00 C ATOM 0 H LEU A 101 2.792 13.322 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 101 4.565 14.233 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.687 16.419 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.278 16.061 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 101 1.814 14.297 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.068 14.607 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.826 16.155 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.451 15.690 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.203 12.724 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.639 13.718 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.784 12.902 -5.657 1.00 0.00 H new ATOM 1568 N ASP A 102 5.333 16.856 -3.768 1.00 0.00 N ATOM 1569 CA ASP A 102 5.990 17.966 -3.074 1.00 0.00 C ATOM 1570 C ASP A 102 6.468 19.012 -4.113 1.00 0.00 C ATOM 1571 O ASP A 102 6.040 18.978 -5.271 1.00 0.00 O ATOM 1572 CB ASP A 102 7.158 17.419 -2.232 1.00 0.00 C ATOM 1573 CG ASP A 102 7.628 18.391 -1.161 1.00 0.00 C ATOM 1574 OD1 ASP A 102 6.952 18.516 -0.121 1.00 0.00 O ATOM 1575 OD2 ASP A 102 8.673 19.043 -1.366 1.00 0.00 O ATOM 0 H ASP A 102 5.639 16.732 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 102 5.292 18.461 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.851 16.486 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.993 17.182 -2.891 1.00 0.00 H new ATOM 1580 N ALA A 103 7.346 19.930 -3.708 1.00 0.00 N ATOM 1581 CA ALA A 103 7.841 21.000 -4.591 1.00 0.00 C ATOM 1582 C ALA A 103 8.408 20.479 -5.929 1.00 0.00 C ATOM 1583 O ALA A 103 8.335 21.167 -6.950 1.00 0.00 O ATOM 1584 CB ALA A 103 8.903 21.814 -3.859 1.00 0.00 C ATOM 0 H ALA A 103 7.735 19.958 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 103 6.984 21.625 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.269 22.606 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.469 22.256 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.731 21.163 -3.578 1.00 0.00 H new ATOM 1590 N ASP A 104 8.954 19.263 -5.931 1.00 0.00 N ATOM 1591 CA ASP A 104 9.625 18.715 -7.116 1.00 0.00 C ATOM 1592 C ASP A 104 8.706 17.766 -7.909 1.00 0.00 C ATOM 1593 O ASP A 104 9.132 17.154 -8.892 1.00 0.00 O ATOM 1594 CB ASP A 104 10.904 17.984 -6.688 1.00 0.00 C ATOM 1595 CG ASP A 104 10.618 16.759 -5.835 1.00 0.00 C ATOM 1596 OD1 ASP A 104 9.770 16.852 -4.918 1.00 0.00 O ATOM 1597 OD2 ASP A 104 11.225 15.700 -6.089 1.00 0.00 O ATOM 0 H ASP A 104 8.946 18.636 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 104 9.879 19.545 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.460 17.683 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.541 18.670 -6.130 1.00 0.00 H new ATOM 1602 N GLY A 105 7.451 17.646 -7.478 1.00 0.00 N ATOM 1603 CA GLY A 105 6.496 16.778 -8.164 1.00 0.00 C ATOM 1604 C GLY A 105 6.663 15.297 -7.825 1.00 0.00 C ATOM 1605 O GLY A 105 6.047 14.433 -8.455 1.00 0.00 O ATOM 0 H GLY A 105 7.075 18.134 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.484 17.089 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.605 16.910 -9.240 1.00 0.00 H new ATOM 1609 N VAL A 106 7.499 15.001 -6.830 1.00 0.00 N ATOM 1610 CA VAL A 106 7.743 13.622 -6.391 1.00 0.00 C ATOM 1611 C VAL A 106 7.400 13.454 -4.899 1.00 0.00 C ATOM 1612 O VAL A 106 7.775 14.289 -4.076 1.00 0.00 O ATOM 1613 CB VAL A 106 9.225 13.223 -6.626 1.00 0.00 C ATOM 1614 CG1 VAL A 106 9.500 11.785 -6.181 1.00 0.00 C ATOM 1615 CG2 VAL A 106 9.608 13.422 -8.091 1.00 0.00 C ATOM 0 H VAL A 106 8.024 15.702 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 106 7.099 12.969 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 106 9.846 13.877 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.547 11.542 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.282 11.685 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.867 11.102 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.650 13.137 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.971 12.802 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.477 14.470 -8.362 1.00 0.00 H new ATOM 1625 N PRO A 107 6.681 12.375 -4.522 1.00 0.00 N ATOM 1626 CA PRO A 107 6.328 12.127 -3.115 1.00 0.00 C ATOM 1627 C PRO A 107 7.572 11.932 -2.229 1.00 0.00 C ATOM 1628 O PRO A 107 8.198 10.867 -2.228 1.00 0.00 O ATOM 1629 CB PRO A 107 5.473 10.850 -3.169 1.00 0.00 C ATOM 1630 CG PRO A 107 5.814 10.205 -4.471 1.00 0.00 C ATOM 1631 CD PRO A 107 6.162 11.322 -5.417 1.00 0.00 C ATOM 0 HA PRO A 107 5.801 12.971 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.698 10.190 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.410 11.085 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.652 9.517 -4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.973 9.623 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.908 11.012 -6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.290 11.662 -5.976 1.00 0.00 H new ATOM 1639 N GLN A 108 7.942 12.982 -1.499 1.00 0.00 N ATOM 1640 CA GLN A 108 9.139 12.952 -0.647 1.00 0.00 C ATOM 1641 C GLN A 108 8.962 12.034 0.582 1.00 0.00 C ATOM 1642 O GLN A 108 8.719 12.499 1.696 1.00 0.00 O ATOM 1643 CB GLN A 108 9.522 14.371 -0.191 1.00 0.00 C ATOM 1644 CG GLN A 108 9.887 15.327 -1.328 1.00 0.00 C ATOM 1645 CD GLN A 108 11.006 14.804 -2.214 1.00 0.00 C ATOM 1646 OE1 GLN A 108 12.184 14.994 -1.932 1.00 0.00 O ATOM 1647 NE2 GLN A 108 10.644 14.175 -3.314 1.00 0.00 N ATOM 0 H GLN A 108 7.433 13.866 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 108 9.945 12.540 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.690 14.795 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.367 14.303 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.003 15.509 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.185 16.287 -0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.655 14.034 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.353 13.830 -3.961 1.00 0.00 H new ATOM 1656 N LEU A 109 9.084 10.723 0.367 1.00 0.00 N ATOM 1657 CA LEU A 109 9.009 9.743 1.464 1.00 0.00 C ATOM 1658 C LEU A 109 10.177 9.883 2.458 1.00 0.00 C ATOM 1659 O LEU A 109 10.090 9.402 3.587 1.00 0.00 O ATOM 1660 CB LEU A 109 8.964 8.307 0.906 1.00 0.00 C ATOM 1661 CG LEU A 109 7.559 7.741 0.622 1.00 0.00 C ATOM 1662 CD1 LEU A 109 6.796 8.618 -0.364 1.00 0.00 C ATOM 1663 CD2 LEU A 109 7.656 6.305 0.107 1.00 0.00 C ATOM 0 H LEU A 109 9.235 10.311 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 109 8.088 9.950 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.540 8.279 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.465 7.647 1.614 1.00 0.00 H new ATOM 0 HG LEU A 109 7.003 7.737 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.809 8.191 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.688 9.621 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.344 8.670 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.655 5.920 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.238 6.287 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.144 5.682 0.856 1.00 0.00 H new ATOM 1675 N GLY A 110 11.256 10.547 2.039 1.00 0.00 N ATOM 1676 CA GLY A 110 12.427 10.719 2.904 1.00 0.00 C ATOM 1677 C GLY A 110 12.088 11.288 4.285 1.00 0.00 C ATOM 1678 O GLY A 110 12.684 10.902 5.288 1.00 0.00 O ATOM 0 H GLY A 110 11.344 10.971 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.922 9.756 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.139 11.382 2.411 1.00 0.00 H new ATOM 1682 N ASP A 111 11.117 12.196 4.334 1.00 0.00 N ATOM 1683 CA ASP A 111 10.675 12.798 5.595 1.00 0.00 C ATOM 1684 C ASP A 111 9.721 11.864 6.364 1.00 0.00 C ATOM 1685 O ASP A 111 9.743 11.808 7.594 1.00 0.00 O ATOM 1686 CB ASP A 111 9.983 14.137 5.305 1.00 0.00 C ATOM 1687 CG ASP A 111 9.453 14.815 6.558 1.00 0.00 C ATOM 1688 OD1 ASP A 111 10.258 15.405 7.307 1.00 0.00 O ATOM 1689 OD2 ASP A 111 8.225 14.777 6.792 1.00 0.00 O ATOM 0 H ASP A 111 10.617 12.534 3.512 1.00 0.00 H new ATOM 0 HA ASP A 111 11.551 12.963 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.688 14.804 4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.158 13.971 4.612 1.00 0.00 H new ATOM 1694 N HIS A 112 8.898 11.116 5.629 1.00 0.00 N ATOM 1695 CA HIS A 112 7.840 10.301 6.237 1.00 0.00 C ATOM 1696 C HIS A 112 8.353 8.933 6.738 1.00 0.00 C ATOM 1697 O HIS A 112 7.761 8.335 7.640 1.00 0.00 O ATOM 1698 CB HIS A 112 6.703 10.102 5.226 1.00 0.00 C ATOM 1699 CG HIS A 112 5.540 9.336 5.777 1.00 0.00 C ATOM 1700 ND1 HIS A 112 4.531 9.920 6.503 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.245 8.018 5.723 1.00 0.00 C ATOM 1702 CE1 HIS A 112 3.669 8.999 6.878 1.00 0.00 C ATOM 1703 NE2 HIS A 112 4.074 7.831 6.418 1.00 0.00 N ATOM 0 H HIS A 112 8.942 11.056 4.612 1.00 0.00 H new ATOM 0 HA HIS A 112 7.475 10.839 7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 112 6.356 11.077 4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.092 9.578 4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.823 7.253 5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.779 9.171 7.465 1.00 0.00 H new ATOM 0 HE2 HIS A 112 3.598 6.939 6.555 1.00 0.00 H new ATOM 1712 N LEU A 113 9.433 8.435 6.143 1.00 0.00 N ATOM 1713 CA LEU A 113 9.998 7.130 6.526 1.00 0.00 C ATOM 1714 C LEU A 113 11.066 7.288 7.613 1.00 0.00 C ATOM 1715 O LEU A 113 10.911 6.815 8.739 1.00 0.00 O ATOM 1716 CB LEU A 113 10.607 6.427 5.302 1.00 0.00 C ATOM 1717 CG LEU A 113 9.665 6.243 4.101 1.00 0.00 C ATOM 1718 CD1 LEU A 113 10.354 5.441 2.999 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.359 5.579 4.529 1.00 0.00 C ATOM 0 H LEU A 113 9.939 8.909 5.394 1.00 0.00 H new ATOM 0 HA LEU A 113 9.186 6.521 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.476 6.997 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.967 5.446 5.611 1.00 0.00 H new ATOM 0 HG LEU A 113 9.421 7.228 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.673 5.320 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.249 5.970 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.633 4.460 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.710 5.460 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.572 4.601 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.861 6.202 5.272 1.00 0.00 H new ATOM 1731 N ALA A 114 12.145 7.962 7.253 1.00 0.00 N ATOM 1732 CA ALA A 114 13.263 8.219 8.165 1.00 0.00 C ATOM 1733 C ALA A 114 14.120 9.374 7.634 1.00 0.00 C ATOM 1734 O ALA A 114 14.599 9.313 6.501 1.00 0.00 O ATOM 1735 CB ALA A 114 14.111 6.961 8.344 1.00 0.00 C ATOM 0 H ALA A 114 12.277 8.350 6.319 1.00 0.00 H new ATOM 0 HA ALA A 114 12.861 8.500 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.936 7.172 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.495 6.163 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.508 6.649 7.378 1.00 0.00 H new ATOM 1741 N LEU A 115 14.322 10.404 8.460 1.00 0.00 N ATOM 1742 CA LEU A 115 14.974 11.653 8.023 1.00 0.00 C ATOM 1743 C LEU A 115 16.287 11.410 7.255 1.00 0.00 C ATOM 1744 O LEU A 115 17.353 11.235 7.855 1.00 0.00 O ATOM 1745 CB LEU A 115 15.243 12.571 9.228 1.00 0.00 C ATOM 1746 CG LEU A 115 13.996 13.038 10.002 1.00 0.00 C ATOM 1747 CD1 LEU A 115 14.390 13.979 11.142 1.00 0.00 C ATOM 1748 CD2 LEU A 115 12.994 13.715 9.064 1.00 0.00 C ATOM 0 H LEU A 115 14.044 10.402 9.441 1.00 0.00 H new ATOM 0 HA LEU A 115 14.281 12.136 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.903 12.048 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 115 15.782 13.451 8.878 1.00 0.00 H new ATOM 0 HG LEU A 115 13.516 12.160 10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 115 13.495 14.298 11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.057 13.459 11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 115 14.899 14.852 10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.122 14.036 9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.461 14.582 8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.684 13.010 8.293 1.00 0.00 H new ATOM 1760 N GLU A 116 16.196 11.374 5.925 1.00 0.00 N ATOM 1761 CA GLU A 116 17.381 11.266 5.069 1.00 0.00 C ATOM 1762 C GLU A 116 17.879 12.660 4.671 1.00 0.00 C ATOM 1763 O GLU A 116 17.090 13.532 4.311 1.00 0.00 O ATOM 1764 CB GLU A 116 17.082 10.456 3.796 1.00 0.00 C ATOM 1765 CG GLU A 116 18.316 10.237 2.920 1.00 0.00 C ATOM 1766 CD GLU A 116 17.991 9.723 1.523 1.00 0.00 C ATOM 1767 OE1 GLU A 116 17.865 8.494 1.343 1.00 0.00 O ATOM 1768 OE2 GLU A 116 17.892 10.546 0.587 1.00 0.00 O ATOM 0 H GLU A 116 15.313 11.418 5.415 1.00 0.00 H new ATOM 0 HA GLU A 116 18.151 10.748 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.667 9.488 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.318 10.973 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.861 11.177 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.980 9.527 3.414 1.00 0.00 H new TER 1775 GLU A 116