USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 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 29 TYR OH : rot -3:sc= -0.989 USER MOD Set 1.2: A 37 GLN : amide:sc= -4.3! C(o=-5.3!,f=-8.5!) USER MOD Set 2.1: A 8 ASN : amide:sc= -3.86! C(o=-9.9!,f=-10!) USER MOD Set 2.2: A 19 GLN : amide:sc= -6.03! C(o=-9.9!,f=-16!) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.422) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -39:sc= 0.454 USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= -3.79! (180deg=-6.26!) USER MOD Single : A 25 TYR OH : rot 175:sc= -1.12 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -1.38 (180deg=-3.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.002 USER MOD Single : A 40 TYR OH : rot 80:sc= 1.67 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -150:sc= -0.421 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.907 -4.251 11.467 1.00 0.00 N ATOM 63 CA ARG A 6 12.600 -3.346 12.619 1.00 0.00 C ATOM 64 C ARG A 6 11.984 -2.044 12.102 1.00 0.00 C ATOM 65 O ARG A 6 12.121 -1.696 10.946 1.00 0.00 O ATOM 66 CB ARG A 6 13.897 -3.029 13.372 1.00 0.00 C ATOM 67 CG ARG A 6 14.618 -4.342 13.774 1.00 0.00 C ATOM 68 CD ARG A 6 15.170 -4.224 15.197 1.00 0.00 C ATOM 69 NE ARG A 6 16.107 -5.351 15.463 1.00 0.00 N ATOM 70 CZ ARG A 6 16.920 -5.296 16.484 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.909 -4.256 17.272 1.00 0.00 N ATOM 72 NH2 ARG A 6 17.741 -6.284 16.716 1.00 0.00 N ATOM 0 HA ARG A 6 11.895 -3.838 13.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.551 -2.424 12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.675 -2.440 14.262 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.924 -5.180 13.713 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.430 -4.549 13.077 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.686 -3.272 15.320 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.352 -4.239 15.918 1.00 0.00 H new ATOM 0 HE ARG A 6 16.114 -6.165 14.848 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.265 -3.486 17.091 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.544 -4.213 18.069 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.747 -7.097 16.100 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.376 -6.243 17.513 1.00 0.00 H new ATOM 86 N ASP A 7 11.309 -1.319 12.954 1.00 0.00 N ATOM 87 CA ASP A 7 10.685 -0.037 12.519 1.00 0.00 C ATOM 88 C ASP A 7 11.739 1.070 12.530 1.00 0.00 C ATOM 89 O ASP A 7 12.870 0.859 12.920 1.00 0.00 O ATOM 90 CB ASP A 7 9.553 0.339 13.478 1.00 0.00 C ATOM 91 CG ASP A 7 10.042 0.251 14.925 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.066 -0.371 15.150 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.381 0.809 15.785 1.00 0.00 O ATOM 0 H ASP A 7 11.163 -1.561 13.934 1.00 0.00 H new ATOM 0 HA ASP A 7 10.284 -0.156 11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.205 1.349 13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.704 -0.329 13.331 1.00 0.00 H new ATOM 98 N ASN A 8 11.379 2.251 12.106 1.00 0.00 N ATOM 99 CA ASN A 8 12.367 3.369 12.097 1.00 0.00 C ATOM 100 C ASN A 8 12.609 3.849 13.531 1.00 0.00 C ATOM 101 O ASN A 8 12.838 5.018 13.772 1.00 0.00 O ATOM 102 CB ASN A 8 11.823 4.527 11.257 1.00 0.00 C ATOM 103 CG ASN A 8 11.946 4.181 9.771 1.00 0.00 C ATOM 104 OD1 ASN A 8 12.402 3.111 9.421 1.00 0.00 O ATOM 105 ND2 ASN A 8 11.554 5.048 8.878 1.00 0.00 N ATOM 0 H ASN A 8 10.447 2.490 11.767 1.00 0.00 H new ATOM 0 HA ASN A 8 13.306 3.019 11.667 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.780 4.717 11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.376 5.440 11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.630 4.827 7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.171 5.946 9.173 1.00 0.00 H new ATOM 112 N ARG A 9 12.561 2.952 14.485 1.00 0.00 N ATOM 113 CA ARG A 9 12.790 3.340 15.914 1.00 0.00 C ATOM 114 C ARG A 9 13.724 2.323 16.570 1.00 0.00 C ATOM 115 O ARG A 9 14.769 2.666 17.086 1.00 0.00 O ATOM 116 CB ARG A 9 11.447 3.355 16.660 1.00 0.00 C ATOM 117 CG ARG A 9 10.545 4.513 16.145 1.00 0.00 C ATOM 118 CD ARG A 9 10.275 5.529 17.266 1.00 0.00 C ATOM 119 NE ARG A 9 9.597 6.729 16.702 1.00 0.00 N ATOM 120 CZ ARG A 9 8.993 7.572 17.494 1.00 0.00 C ATOM 121 NH1 ARG A 9 8.976 7.359 18.783 1.00 0.00 N ATOM 122 NH2 ARG A 9 8.403 8.626 17.000 1.00 0.00 N ATOM 0 H ARG A 9 12.372 1.961 14.335 1.00 0.00 H new ATOM 0 HA ARG A 9 13.241 4.331 15.956 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.938 2.401 16.521 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.621 3.471 17.730 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.028 5.011 15.304 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.601 4.110 15.777 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.652 5.077 18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.212 5.818 17.741 1.00 0.00 H new ATOM 0 HE ARG A 9 9.605 6.892 15.695 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.435 6.534 19.170 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.504 8.018 19.403 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.414 8.792 15.994 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.931 9.284 17.620 1.00 0.00 H new ATOM 136 N GLY A 10 13.357 1.071 16.551 1.00 0.00 N ATOM 137 CA GLY A 10 14.226 0.025 17.173 1.00 0.00 C ATOM 138 C GLY A 10 13.382 -1.181 17.598 1.00 0.00 C ATOM 139 O GLY A 10 13.893 -2.149 18.125 1.00 0.00 O ATOM 0 H GLY A 10 12.494 0.725 16.132 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.992 -0.290 16.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.743 0.439 18.039 1.00 0.00 H new ATOM 143 N ARG A 11 12.096 -1.136 17.377 1.00 0.00 N ATOM 144 CA ARG A 11 11.230 -2.282 17.773 1.00 0.00 C ATOM 145 C ARG A 11 11.306 -3.370 16.701 1.00 0.00 C ATOM 146 O ARG A 11 12.187 -3.366 15.867 1.00 0.00 O ATOM 147 CB ARG A 11 9.788 -1.791 17.913 1.00 0.00 C ATOM 148 CG ARG A 11 9.636 -1.030 19.233 1.00 0.00 C ATOM 149 CD ARG A 11 8.302 -0.280 19.257 1.00 0.00 C ATOM 150 NE ARG A 11 8.197 0.584 18.046 1.00 0.00 N ATOM 151 CZ ARG A 11 7.061 1.144 17.741 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.022 0.968 18.510 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.962 1.885 16.672 1.00 0.00 N ATOM 0 H ARG A 11 11.608 -0.355 16.939 1.00 0.00 H new ATOM 0 HA ARG A 11 11.569 -2.693 18.724 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.530 -1.143 17.075 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.100 -2.636 17.886 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.686 -1.726 20.071 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.460 -0.326 19.353 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.474 -0.989 19.284 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.231 0.328 20.159 1.00 0.00 H new ATOM 0 HE ARG A 11 9.015 0.737 17.456 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.100 0.393 19.349 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.132 1.406 18.273 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.775 2.027 16.073 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.071 2.322 16.435 1.00 0.00 H new ATOM 167 N ILE A 12 10.390 -4.308 16.724 1.00 0.00 N ATOM 168 CA ILE A 12 10.400 -5.418 15.714 1.00 0.00 C ATOM 169 C ILE A 12 9.038 -5.495 15.016 1.00 0.00 C ATOM 170 O ILE A 12 8.017 -5.683 15.647 1.00 0.00 O ATOM 171 CB ILE A 12 10.664 -6.746 16.429 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.058 -6.715 17.108 1.00 0.00 C ATOM 173 CG2 ILE A 12 10.578 -7.893 15.416 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.183 -7.076 16.120 1.00 0.00 C ATOM 0 H ILE A 12 9.630 -4.354 17.403 1.00 0.00 H new ATOM 0 HA ILE A 12 11.179 -5.226 14.976 1.00 0.00 H new ATOM 0 HB ILE A 12 9.912 -6.902 17.203 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.240 -5.722 17.519 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.071 -7.414 17.944 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.766 -8.840 15.922 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.584 -7.911 14.970 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.324 -7.745 14.635 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.143 -7.043 16.634 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.015 -8.079 15.729 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.187 -6.362 15.297 1.00 0.00 H new ATOM 186 N LEU A 13 9.015 -5.364 13.713 1.00 0.00 N ATOM 187 CA LEU A 13 7.719 -5.445 12.970 1.00 0.00 C ATOM 188 C LEU A 13 7.468 -6.904 12.568 1.00 0.00 C ATOM 189 O LEU A 13 8.374 -7.606 12.161 1.00 0.00 O ATOM 190 CB LEU A 13 7.793 -4.571 11.705 1.00 0.00 C ATOM 191 CG LEU A 13 7.534 -3.090 12.056 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.196 -2.187 11.007 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.023 -2.804 12.071 1.00 0.00 C ATOM 0 H LEU A 13 9.838 -5.204 13.131 1.00 0.00 H new ATOM 0 HA LEU A 13 6.907 -5.089 13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.774 -4.675 11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.058 -4.912 10.976 1.00 0.00 H new ATOM 0 HG LEU A 13 7.953 -2.888 13.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.011 -1.142 11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.270 -2.372 10.993 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.778 -2.404 10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.853 -1.756 12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.603 -3.016 11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.540 -3.437 12.816 1.00 0.00 H new ATOM 205 N LYS A 14 6.250 -7.366 12.671 1.00 0.00 N ATOM 206 CA LYS A 14 5.952 -8.781 12.287 1.00 0.00 C ATOM 207 C LYS A 14 5.599 -8.828 10.796 1.00 0.00 C ATOM 208 O LYS A 14 5.324 -7.815 10.185 1.00 0.00 O ATOM 209 CB LYS A 14 4.765 -9.293 13.120 1.00 0.00 C ATOM 210 CG LYS A 14 5.251 -9.752 14.509 1.00 0.00 C ATOM 211 CD LYS A 14 5.729 -11.216 14.445 1.00 0.00 C ATOM 212 CE LYS A 14 6.685 -11.501 15.606 1.00 0.00 C ATOM 213 NZ LYS A 14 6.095 -10.989 16.875 1.00 0.00 N ATOM 0 H LYS A 14 5.449 -6.828 13.003 1.00 0.00 H new ATOM 0 HA LYS A 14 6.821 -9.411 12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.020 -8.505 13.229 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.279 -10.121 12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.064 -9.110 14.849 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.444 -9.656 15.235 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.874 -11.890 14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.230 -11.403 13.495 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.869 -12.573 15.685 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.648 -11.025 15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.537 -11.472 17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.265 -9.966 16.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.071 -11.171 16.880 1.00 0.00 H new ATOM 227 N THR A 15 5.602 -9.994 10.201 1.00 0.00 N ATOM 228 CA THR A 15 5.264 -10.085 8.750 1.00 0.00 C ATOM 229 C THR A 15 3.973 -9.302 8.492 1.00 0.00 C ATOM 230 O THR A 15 3.325 -8.845 9.413 1.00 0.00 O ATOM 231 CB THR A 15 5.094 -11.562 8.345 1.00 0.00 C ATOM 232 OG1 THR A 15 5.267 -11.685 6.939 1.00 0.00 O ATOM 233 CG2 THR A 15 3.703 -12.082 8.734 1.00 0.00 C ATOM 0 H THR A 15 5.822 -10.881 10.654 1.00 0.00 H new ATOM 0 HA THR A 15 6.068 -9.657 8.151 1.00 0.00 H new ATOM 0 HB THR A 15 5.843 -12.155 8.870 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.161 -12.623 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.609 -13.127 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.572 -11.998 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.939 -11.491 8.229 1.00 0.00 H new ATOM 241 N GLY A 16 3.593 -9.134 7.259 1.00 0.00 N ATOM 242 CA GLY A 16 2.348 -8.369 6.976 1.00 0.00 C ATOM 243 C GLY A 16 2.572 -6.896 7.329 1.00 0.00 C ATOM 244 O GLY A 16 2.162 -6.007 6.608 1.00 0.00 O ATOM 0 H GLY A 16 4.085 -9.490 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.078 -8.467 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.519 -8.773 7.557 1.00 0.00 H new ATOM 248 N GLU A 17 3.217 -6.629 8.437 1.00 0.00 N ATOM 249 CA GLU A 17 3.468 -5.215 8.845 1.00 0.00 C ATOM 250 C GLU A 17 4.814 -4.747 8.289 1.00 0.00 C ATOM 251 O GLU A 17 5.738 -5.520 8.137 1.00 0.00 O ATOM 252 CB GLU A 17 3.490 -5.124 10.374 1.00 0.00 C ATOM 253 CG GLU A 17 2.154 -5.618 10.935 1.00 0.00 C ATOM 254 CD GLU A 17 2.226 -5.665 12.463 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.120 -6.320 12.974 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.387 -5.045 13.095 1.00 0.00 O ATOM 0 H GLU A 17 3.582 -7.333 9.078 1.00 0.00 H new ATOM 0 HA GLU A 17 2.675 -4.580 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.308 -5.724 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.669 -4.095 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.348 -4.956 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.926 -6.608 10.541 1.00 0.00 H new ATOM 263 N SER A 18 4.930 -3.482 7.987 1.00 0.00 N ATOM 264 CA SER A 18 6.212 -2.955 7.441 1.00 0.00 C ATOM 265 C SER A 18 6.201 -1.427 7.521 1.00 0.00 C ATOM 266 O SER A 18 5.772 -0.851 8.500 1.00 0.00 O ATOM 267 CB SER A 18 6.365 -3.388 5.982 1.00 0.00 C ATOM 268 OG SER A 18 6.035 -4.765 5.865 1.00 0.00 O ATOM 0 H SER A 18 4.189 -2.789 8.096 1.00 0.00 H new ATOM 0 HA SER A 18 7.046 -3.348 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.715 -2.791 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.387 -3.217 5.645 1.00 0.00 H new ATOM 0 HG SER A 18 6.383 -5.252 6.641 1.00 0.00 H new ATOM 274 N GLN A 19 6.668 -0.764 6.495 1.00 0.00 N ATOM 275 CA GLN A 19 6.682 0.727 6.516 1.00 0.00 C ATOM 276 C GLN A 19 6.731 1.263 5.082 1.00 0.00 C ATOM 277 O GLN A 19 7.501 0.806 4.261 1.00 0.00 O ATOM 278 CB GLN A 19 7.899 1.207 7.317 1.00 0.00 C ATOM 279 CG GLN A 19 7.978 2.754 7.314 1.00 0.00 C ATOM 280 CD GLN A 19 8.414 3.266 8.692 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.562 3.607 8.890 1.00 0.00 O ATOM 282 NE2 GLN A 19 7.537 3.333 9.657 1.00 0.00 N ATOM 0 H GLN A 19 7.039 -1.190 5.646 1.00 0.00 H new ATOM 0 HA GLN A 19 5.776 1.101 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.833 0.843 8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.811 0.790 6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.685 3.088 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.007 3.174 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.572 3.046 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.817 3.672 10.578 1.00 0.00 H new ATOM 291 N ARG A 20 5.891 2.218 4.773 1.00 0.00 N ATOM 292 CA ARG A 20 5.860 2.774 3.388 1.00 0.00 C ATOM 293 C ARG A 20 7.058 3.700 3.156 1.00 0.00 C ATOM 294 O ARG A 20 8.103 3.557 3.756 1.00 0.00 O ATOM 295 CB ARG A 20 4.547 3.561 3.177 1.00 0.00 C ATOM 296 CG ARG A 20 4.093 3.458 1.708 1.00 0.00 C ATOM 297 CD ARG A 20 3.172 4.633 1.348 1.00 0.00 C ATOM 298 NE ARG A 20 4.003 5.804 0.950 1.00 0.00 N ATOM 299 CZ ARG A 20 3.460 6.812 0.324 1.00 0.00 C ATOM 300 NH1 ARG A 20 2.180 6.810 0.066 1.00 0.00 N ATOM 301 NH2 ARG A 20 4.198 7.823 -0.045 1.00 0.00 N ATOM 0 H ARG A 20 5.225 2.637 5.422 1.00 0.00 H new ATOM 0 HA ARG A 20 5.912 1.950 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.770 3.169 3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.694 4.607 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.963 3.455 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.570 2.515 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.505 4.351 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.543 4.891 2.200 1.00 0.00 H new ATOM 0 HE ARG A 20 4.999 5.818 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.603 6.020 0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.757 7.599 -0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.198 7.825 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.775 8.612 -0.534 1.00 0.00 H new ATOM 315 N LYS A 21 6.898 4.646 2.268 1.00 0.00 N ATOM 316 CA LYS A 21 8.001 5.599 1.949 1.00 0.00 C ATOM 317 C LYS A 21 7.837 6.882 2.772 1.00 0.00 C ATOM 318 O LYS A 21 8.789 7.593 3.026 1.00 0.00 O ATOM 319 CB LYS A 21 7.934 5.943 0.456 1.00 0.00 C ATOM 320 CG LYS A 21 8.059 4.658 -0.386 1.00 0.00 C ATOM 321 CD LYS A 21 7.378 4.851 -1.747 1.00 0.00 C ATOM 322 CE LYS A 21 8.101 5.941 -2.536 1.00 0.00 C ATOM 323 NZ LYS A 21 7.792 7.272 -1.942 1.00 0.00 N ATOM 0 H LYS A 21 6.037 4.800 1.743 1.00 0.00 H new ATOM 0 HA LYS A 21 8.961 5.143 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.993 6.445 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.734 6.636 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.110 4.408 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.602 3.822 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.390 3.915 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.332 5.124 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.176 5.764 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.790 5.916 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.704 7.978 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.898 7.217 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.559 7.551 -1.297 1.00 0.00 H new ATOM 337 N ASP A 22 6.635 7.189 3.181 1.00 0.00 N ATOM 338 CA ASP A 22 6.408 8.432 3.977 1.00 0.00 C ATOM 339 C ASP A 22 6.733 8.174 5.450 1.00 0.00 C ATOM 340 O ASP A 22 6.437 8.980 6.309 1.00 0.00 O ATOM 341 CB ASP A 22 4.945 8.858 3.851 1.00 0.00 C ATOM 342 CG ASP A 22 4.615 9.130 2.384 1.00 0.00 C ATOM 343 OD1 ASP A 22 5.496 9.587 1.674 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.486 8.879 1.996 1.00 0.00 O ATOM 0 H ASP A 22 5.800 6.633 2.999 1.00 0.00 H new ATOM 0 HA ASP A 22 7.056 9.222 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.293 8.077 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.764 9.752 4.447 1.00 0.00 H new ATOM 349 N GLY A 23 7.340 7.061 5.751 1.00 0.00 N ATOM 350 CA GLY A 23 7.685 6.761 7.171 1.00 0.00 C ATOM 351 C GLY A 23 6.466 6.182 7.896 1.00 0.00 C ATOM 352 O GLY A 23 6.589 5.572 8.938 1.00 0.00 O ATOM 0 H GLY A 23 7.613 6.346 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.512 6.052 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.019 7.669 7.672 1.00 0.00 H new ATOM 356 N ARG A 24 5.288 6.364 7.358 1.00 0.00 N ATOM 357 CA ARG A 24 4.076 5.814 8.033 1.00 0.00 C ATOM 358 C ARG A 24 4.127 4.290 7.982 1.00 0.00 C ATOM 359 O ARG A 24 4.764 3.711 7.128 1.00 0.00 O ATOM 360 CB ARG A 24 2.815 6.307 7.320 1.00 0.00 C ATOM 361 CG ARG A 24 2.831 5.832 5.868 1.00 0.00 C ATOM 362 CD ARG A 24 1.673 6.480 5.109 1.00 0.00 C ATOM 363 NE ARG A 24 1.856 7.959 5.094 1.00 0.00 N ATOM 364 CZ ARG A 24 1.154 8.693 4.276 1.00 0.00 C ATOM 365 NH1 ARG A 24 0.286 8.133 3.481 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.319 9.988 4.251 1.00 0.00 N ATOM 0 H ARG A 24 5.114 6.866 6.487 1.00 0.00 H new ATOM 0 HA ARG A 24 4.053 6.150 9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.927 5.930 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.765 7.395 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.779 6.093 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.744 4.746 5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.633 6.097 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.725 6.225 5.583 1.00 0.00 H new ATOM 0 HE ARG A 24 2.529 8.397 5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.156 7.121 3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.264 8.706 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.998 10.428 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.769 10.560 3.610 1.00 0.00 H new ATOM 380 N TYR A 25 3.466 3.630 8.890 1.00 0.00 N ATOM 381 CA TYR A 25 3.497 2.143 8.887 1.00 0.00 C ATOM 382 C TYR A 25 2.632 1.609 7.741 1.00 0.00 C ATOM 383 O TYR A 25 1.616 2.182 7.397 1.00 0.00 O ATOM 384 CB TYR A 25 2.976 1.624 10.228 1.00 0.00 C ATOM 385 CG TYR A 25 3.997 1.932 11.301 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.254 1.312 11.267 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.698 2.844 12.323 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.206 1.602 12.249 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.651 3.134 13.306 1.00 0.00 C ATOM 390 CZ TYR A 25 5.907 2.513 13.268 1.00 0.00 C ATOM 391 OH TYR A 25 6.848 2.800 14.238 1.00 0.00 O ATOM 0 H TYR A 25 2.908 4.054 9.631 1.00 0.00 H new ATOM 0 HA TYR A 25 4.521 1.798 8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.022 2.093 10.469 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.798 0.550 10.174 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.487 0.609 10.481 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.731 3.323 12.352 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.173 1.122 12.221 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.419 3.836 14.093 1.00 0.00 H new ATOM 0 HH TYR A 25 6.509 3.510 14.823 1.00 0.00 H new ATOM 401 N LEU A 26 3.042 0.513 7.144 1.00 0.00 N ATOM 402 CA LEU A 26 2.274 -0.087 6.004 1.00 0.00 C ATOM 403 C LEU A 26 1.953 -1.543 6.337 1.00 0.00 C ATOM 404 O LEU A 26 2.834 -2.334 6.615 1.00 0.00 O ATOM 405 CB LEU A 26 3.139 -0.013 4.724 1.00 0.00 C ATOM 406 CG LEU A 26 2.647 -0.993 3.637 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.185 -0.710 3.288 1.00 0.00 C ATOM 408 CD2 LEU A 26 3.490 -0.816 2.373 1.00 0.00 C ATOM 0 H LEU A 26 3.887 0.003 7.402 1.00 0.00 H new ATOM 0 HA LEU A 26 1.344 0.458 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.120 1.004 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.176 -0.239 4.973 1.00 0.00 H new ATOM 0 HG LEU A 26 2.741 -2.010 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.852 -1.409 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.569 -0.829 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.091 0.310 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.144 -1.507 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.392 0.207 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.536 -1.022 2.601 1.00 0.00 H new ATOM 420 N TYR A 27 0.697 -1.904 6.289 1.00 0.00 N ATOM 421 CA TYR A 27 0.288 -3.312 6.575 1.00 0.00 C ATOM 422 C TYR A 27 -0.303 -3.910 5.306 1.00 0.00 C ATOM 423 O TYR A 27 -1.464 -3.717 4.984 1.00 0.00 O ATOM 424 CB TYR A 27 -0.744 -3.323 7.694 1.00 0.00 C ATOM 425 CG TYR A 27 -1.324 -4.710 7.873 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.485 -5.776 8.214 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.699 -4.927 7.716 1.00 0.00 C ATOM 428 CE1 TYR A 27 -1.017 -7.058 8.396 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.230 -6.211 7.897 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.389 -7.275 8.237 1.00 0.00 C ATOM 431 OH TYR A 27 -2.914 -8.538 8.419 1.00 0.00 O ATOM 0 H TYR A 27 -0.073 -1.275 6.061 1.00 0.00 H new ATOM 0 HA TYR A 27 1.149 -3.901 6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.282 -2.994 8.625 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.542 -2.616 7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.575 -5.610 8.337 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.349 -4.105 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.367 -7.880 8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.290 -6.379 7.774 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.883 -8.514 8.271 1.00 0.00 H new ATOM 441 N LYS A 28 0.510 -4.628 4.585 1.00 0.00 N ATOM 442 CA LYS A 28 0.057 -5.268 3.320 1.00 0.00 C ATOM 443 C LYS A 28 -0.362 -6.699 3.627 1.00 0.00 C ATOM 444 O LYS A 28 0.378 -7.455 4.223 1.00 0.00 O ATOM 445 CB LYS A 28 1.222 -5.279 2.335 1.00 0.00 C ATOM 446 CG LYS A 28 0.774 -5.824 0.977 1.00 0.00 C ATOM 447 CD LYS A 28 -0.268 -4.885 0.336 1.00 0.00 C ATOM 448 CE LYS A 28 -0.182 -4.983 -1.197 1.00 0.00 C ATOM 449 NZ LYS A 28 0.241 -6.358 -1.584 1.00 0.00 N ATOM 0 H LYS A 28 1.487 -4.801 4.823 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.782 -4.721 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.614 -4.269 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.033 -5.892 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.636 -5.926 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.348 -6.820 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.269 -5.155 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.091 -3.858 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.149 -4.750 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.529 -4.251 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.108 -6.573 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.279 -6.418 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.152 -7.045 -0.909 1.00 0.00 H new ATOM 463 N TYR A 29 -1.538 -7.085 3.230 1.00 0.00 N ATOM 464 CA TYR A 29 -1.983 -8.481 3.515 1.00 0.00 C ATOM 465 C TYR A 29 -3.051 -8.912 2.506 1.00 0.00 C ATOM 466 O TYR A 29 -3.775 -8.103 1.961 1.00 0.00 O ATOM 467 CB TYR A 29 -2.531 -8.562 4.947 1.00 0.00 C ATOM 468 CG TYR A 29 -3.927 -7.985 5.020 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.113 -6.607 5.187 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.036 -8.834 4.924 1.00 0.00 C ATOM 471 CE1 TYR A 29 -5.407 -6.079 5.259 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.331 -8.307 4.997 1.00 0.00 C ATOM 473 CZ TYR A 29 -6.517 -6.930 5.164 1.00 0.00 C ATOM 474 OH TYR A 29 -7.792 -6.412 5.239 1.00 0.00 O ATOM 0 H TYR A 29 -2.208 -6.504 2.725 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.133 -9.157 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.544 -9.600 5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.872 -8.019 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.258 -5.952 5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.892 -9.896 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.550 -5.016 5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.186 -8.963 4.924 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.744 -5.448 5.407 1.00 0.00 H new ATOM 484 N ILE A 30 -3.147 -10.190 2.261 1.00 0.00 N ATOM 485 CA ILE A 30 -4.159 -10.706 1.295 1.00 0.00 C ATOM 486 C ILE A 30 -5.435 -11.055 2.066 1.00 0.00 C ATOM 487 O ILE A 30 -5.413 -11.836 2.996 1.00 0.00 O ATOM 488 CB ILE A 30 -3.615 -11.969 0.601 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.145 -11.766 0.157 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.480 -12.311 -0.618 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.068 -10.902 -1.105 1.00 0.00 C ATOM 0 H ILE A 30 -2.562 -10.906 2.693 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.373 -9.950 0.540 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.651 -12.792 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.580 -11.293 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.681 -12.734 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.088 -13.205 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.506 -12.492 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.462 -11.479 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.025 -10.775 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.613 -11.389 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.511 -9.926 -0.905 1.00 0.00 H new ATOM 503 N ASP A 31 -6.547 -10.479 1.697 1.00 0.00 N ATOM 504 CA ASP A 31 -7.812 -10.778 2.429 1.00 0.00 C ATOM 505 C ASP A 31 -8.384 -12.118 1.959 1.00 0.00 C ATOM 506 O ASP A 31 -7.929 -12.698 0.993 1.00 0.00 O ATOM 507 CB ASP A 31 -8.832 -9.673 2.157 1.00 0.00 C ATOM 508 CG ASP A 31 -8.241 -8.327 2.568 1.00 0.00 C ATOM 509 OD1 ASP A 31 -7.066 -8.117 2.317 1.00 0.00 O ATOM 510 OD2 ASP A 31 -8.972 -7.530 3.132 1.00 0.00 O ATOM 0 H ASP A 31 -6.635 -9.818 0.925 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.601 -10.831 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.097 -9.659 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.750 -9.865 2.713 1.00 0.00 H new ATOM 515 N SER A 32 -9.375 -12.614 2.649 1.00 0.00 N ATOM 516 CA SER A 32 -9.983 -13.922 2.267 1.00 0.00 C ATOM 517 C SER A 32 -10.668 -13.807 0.903 1.00 0.00 C ATOM 518 O SER A 32 -11.353 -14.712 0.468 1.00 0.00 O ATOM 519 CB SER A 32 -11.020 -14.319 3.318 1.00 0.00 C ATOM 520 OG SER A 32 -10.469 -14.128 4.615 1.00 0.00 O ATOM 0 H SER A 32 -9.792 -12.167 3.466 1.00 0.00 H new ATOM 0 HA SER A 32 -9.199 -14.677 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.922 -13.718 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.311 -15.361 3.183 1.00 0.00 H new ATOM 0 HG SER A 32 -11.131 -14.380 5.292 1.00 0.00 H new ATOM 526 N PHE A 33 -10.490 -12.708 0.221 1.00 0.00 N ATOM 527 CA PHE A 33 -11.129 -12.535 -1.118 1.00 0.00 C ATOM 528 C PHE A 33 -10.102 -12.868 -2.201 1.00 0.00 C ATOM 529 O PHE A 33 -10.441 -13.305 -3.283 1.00 0.00 O ATOM 530 CB PHE A 33 -11.582 -11.074 -1.266 1.00 0.00 C ATOM 531 CG PHE A 33 -12.951 -10.892 -0.647 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.082 -10.810 0.744 1.00 0.00 C ATOM 533 CD2 PHE A 33 -14.086 -10.806 -1.462 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.347 -10.640 1.320 1.00 0.00 C ATOM 535 CE2 PHE A 33 -15.351 -10.637 -0.887 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.481 -10.555 0.505 1.00 0.00 C ATOM 0 H PHE A 33 -9.927 -11.918 0.534 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.990 -13.196 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.864 -10.411 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.611 -10.798 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.207 -10.878 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.986 -10.870 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.447 -10.575 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.226 -10.570 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.457 -10.426 0.949 1.00 0.00 H new ATOM 546 N GLY A 34 -8.847 -12.654 -1.913 1.00 0.00 N ATOM 547 CA GLY A 34 -7.774 -12.943 -2.914 1.00 0.00 C ATOM 548 C GLY A 34 -7.334 -11.629 -3.555 1.00 0.00 C ATOM 549 O GLY A 34 -6.896 -11.595 -4.688 1.00 0.00 O ATOM 0 H GLY A 34 -8.514 -12.289 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.927 -13.429 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.143 -13.630 -3.676 1.00 0.00 H new ATOM 553 N GLU A 35 -7.454 -10.544 -2.831 1.00 0.00 N ATOM 554 CA GLU A 35 -7.053 -9.210 -3.378 1.00 0.00 C ATOM 555 C GLU A 35 -6.281 -8.429 -2.295 1.00 0.00 C ATOM 556 O GLU A 35 -6.847 -8.078 -1.279 1.00 0.00 O ATOM 557 CB GLU A 35 -8.315 -8.426 -3.746 1.00 0.00 C ATOM 558 CG GLU A 35 -9.223 -9.298 -4.616 1.00 0.00 C ATOM 559 CD GLU A 35 -8.488 -9.681 -5.901 1.00 0.00 C ATOM 560 OE1 GLU A 35 -7.733 -8.860 -6.396 1.00 0.00 O ATOM 561 OE2 GLU A 35 -8.691 -10.789 -6.369 1.00 0.00 O ATOM 0 H GLU A 35 -7.815 -10.525 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.424 -9.345 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.843 -8.121 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.047 -7.515 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.514 -10.196 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.140 -8.760 -4.856 1.00 0.00 H new ATOM 568 N PRO A 36 -5.006 -8.151 -2.490 1.00 0.00 N ATOM 569 CA PRO A 36 -4.203 -7.396 -1.481 1.00 0.00 C ATOM 570 C PRO A 36 -4.966 -6.194 -0.913 1.00 0.00 C ATOM 571 O PRO A 36 -5.618 -5.467 -1.635 1.00 0.00 O ATOM 572 CB PRO A 36 -2.973 -6.941 -2.272 1.00 0.00 C ATOM 573 CG PRO A 36 -2.782 -7.995 -3.315 1.00 0.00 C ATOM 574 CD PRO A 36 -4.185 -8.510 -3.666 1.00 0.00 C ATOM 0 HA PRO A 36 -3.957 -8.006 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.132 -5.962 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.097 -6.857 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.286 -7.586 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.153 -8.803 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.565 -8.043 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.183 -9.586 -3.837 1.00 0.00 H new ATOM 582 N GLN A 37 -4.885 -5.985 0.381 1.00 0.00 N ATOM 583 CA GLN A 37 -5.599 -4.833 1.023 1.00 0.00 C ATOM 584 C GLN A 37 -4.581 -3.942 1.744 1.00 0.00 C ATOM 585 O GLN A 37 -3.701 -4.420 2.437 1.00 0.00 O ATOM 586 CB GLN A 37 -6.624 -5.365 2.029 1.00 0.00 C ATOM 587 CG GLN A 37 -7.282 -4.187 2.764 1.00 0.00 C ATOM 588 CD GLN A 37 -8.616 -4.630 3.370 1.00 0.00 C ATOM 589 OE1 GLN A 37 -8.861 -4.426 4.543 1.00 0.00 O ATOM 590 NE2 GLN A 37 -9.496 -5.226 2.614 1.00 0.00 N ATOM 0 H GLN A 37 -4.350 -6.568 1.025 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.113 -4.249 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.382 -5.955 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.137 -6.027 2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.620 -3.821 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.444 -3.360 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.290 -5.397 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.390 -5.521 3.007 1.00 0.00 H new ATOM 599 N PHE A 38 -4.688 -2.649 1.564 1.00 0.00 N ATOM 600 CA PHE A 38 -3.727 -1.698 2.208 1.00 0.00 C ATOM 601 C PHE A 38 -4.356 -1.036 3.444 1.00 0.00 C ATOM 602 O PHE A 38 -5.470 -0.553 3.409 1.00 0.00 O ATOM 603 CB PHE A 38 -3.381 -0.586 1.193 1.00 0.00 C ATOM 604 CG PHE A 38 -2.181 -0.968 0.362 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.345 -1.729 -0.795 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.907 -0.536 0.744 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.237 -2.061 -1.574 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.206 -0.872 -0.034 1.00 0.00 C ATOM 609 CZ PHE A 38 0.041 -1.635 -1.195 1.00 0.00 C ATOM 0 H PHE A 38 -5.408 -2.206 0.992 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.839 -2.252 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.236 -0.404 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.180 0.345 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.330 -2.061 -1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.783 0.056 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.365 -2.648 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.191 -0.543 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.899 -1.895 -1.798 1.00 0.00 H new ATOM 619 N VAL A 39 -3.609 -0.958 4.517 1.00 0.00 N ATOM 620 CA VAL A 39 -4.101 -0.266 5.751 1.00 0.00 C ATOM 621 C VAL A 39 -2.954 0.621 6.238 1.00 0.00 C ATOM 622 O VAL A 39 -1.912 0.138 6.634 1.00 0.00 O ATOM 623 CB VAL A 39 -4.481 -1.284 6.832 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.157 -0.564 8.003 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.444 -2.315 6.244 1.00 0.00 C ATOM 0 H VAL A 39 -2.669 -1.348 4.593 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.994 0.321 5.536 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.581 -1.786 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.426 -1.290 8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.470 0.171 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.056 -0.059 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.715 -3.039 7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.342 -1.812 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.962 -2.830 5.413 1.00 0.00 H new ATOM 635 N TYR A 40 -3.115 1.919 6.163 1.00 0.00 N ATOM 636 CA TYR A 40 -2.007 2.845 6.566 1.00 0.00 C ATOM 637 C TYR A 40 -2.246 3.426 7.960 1.00 0.00 C ATOM 638 O TYR A 40 -3.364 3.569 8.412 1.00 0.00 O ATOM 639 CB TYR A 40 -1.946 4.010 5.573 1.00 0.00 C ATOM 640 CG TYR A 40 -1.484 3.525 4.218 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.120 3.347 3.968 1.00 0.00 C ATOM 642 CD2 TYR A 40 -2.422 3.272 3.209 1.00 0.00 C ATOM 643 CE1 TYR A 40 0.309 2.911 2.707 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.993 2.839 1.948 1.00 0.00 C ATOM 645 CZ TYR A 40 -0.628 2.659 1.695 1.00 0.00 C ATOM 646 OH TYR A 40 -0.207 2.237 0.449 1.00 0.00 O ATOM 0 H TYR A 40 -3.966 2.379 5.840 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.077 2.277 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.929 4.473 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.265 4.776 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.602 3.545 4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.475 3.411 3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.362 2.769 2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.716 2.644 1.170 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.020 1.275 0.475 1.00 0.00 H new ATOM 656 N SER A 41 -1.180 3.782 8.627 1.00 0.00 N ATOM 657 CA SER A 41 -1.291 4.384 9.986 1.00 0.00 C ATOM 658 C SER A 41 0.067 5.000 10.355 1.00 0.00 C ATOM 659 O SER A 41 1.051 4.786 9.675 1.00 0.00 O ATOM 660 CB SER A 41 -1.701 3.304 11.000 1.00 0.00 C ATOM 661 OG SER A 41 -2.813 3.773 11.752 1.00 0.00 O ATOM 0 H SER A 41 -0.225 3.679 8.282 1.00 0.00 H new ATOM 0 HA SER A 41 -2.054 5.162 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.959 2.380 10.482 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.867 3.075 11.664 1.00 0.00 H new ATOM 0 HG SER A 41 -3.082 3.089 12.400 1.00 0.00 H new ATOM 667 N TRP A 42 0.129 5.767 11.417 1.00 0.00 N ATOM 668 CA TRP A 42 1.421 6.407 11.827 1.00 0.00 C ATOM 669 C TRP A 42 1.884 5.825 13.166 1.00 0.00 C ATOM 670 O TRP A 42 3.062 5.649 13.405 1.00 0.00 O ATOM 671 CB TRP A 42 1.201 7.913 11.995 1.00 0.00 C ATOM 672 CG TRP A 42 1.096 8.571 10.656 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.058 8.984 10.085 1.00 0.00 C ATOM 674 CD2 TRP A 42 2.161 8.911 9.723 1.00 0.00 C ATOM 675 NE1 TRP A 42 0.230 9.552 8.857 1.00 0.00 N ATOM 676 CE2 TRP A 42 1.585 9.531 8.589 1.00 0.00 C ATOM 677 CE3 TRP A 42 3.557 8.742 9.747 1.00 0.00 C ATOM 678 CZ2 TRP A 42 2.365 9.969 7.518 1.00 0.00 C ATOM 679 CZ3 TRP A 42 4.346 9.182 8.671 1.00 0.00 C ATOM 680 CH2 TRP A 42 3.751 9.794 7.559 1.00 0.00 C ATOM 0 H TRP A 42 -0.665 5.979 12.022 1.00 0.00 H new ATOM 0 HA TRP A 42 2.176 6.217 11.064 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.292 8.094 12.570 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.026 8.348 12.559 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.043 8.886 10.517 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.472 9.939 8.227 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.026 8.271 10.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.901 10.440 6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.417 9.048 8.701 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.363 10.130 6.735 1.00 0.00 H new ATOM 691 N LYS A 43 0.963 5.545 14.049 1.00 0.00 N ATOM 692 CA LYS A 43 1.338 4.996 15.389 1.00 0.00 C ATOM 693 C LYS A 43 1.333 3.465 15.336 1.00 0.00 C ATOM 694 O LYS A 43 0.317 2.854 15.072 1.00 0.00 O ATOM 695 CB LYS A 43 0.316 5.453 16.450 1.00 0.00 C ATOM 696 CG LYS A 43 -0.005 6.960 16.310 1.00 0.00 C ATOM 697 CD LYS A 43 -1.418 7.259 16.850 1.00 0.00 C ATOM 698 CE LYS A 43 -1.440 7.137 18.374 1.00 0.00 C ATOM 699 NZ LYS A 43 -2.849 7.214 18.855 1.00 0.00 N ATOM 0 H LYS A 43 -0.038 5.673 13.901 1.00 0.00 H new ATOM 0 HA LYS A 43 2.331 5.360 15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.601 4.873 16.348 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.710 5.254 17.447 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.732 7.548 16.856 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.062 7.257 15.263 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.723 8.263 16.554 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.136 6.566 16.412 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.990 6.193 18.681 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.847 7.934 18.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.867 7.131 19.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.263 8.126 18.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.402 6.439 18.436 1.00 0.00 H new ATOM 713 N LEU A 44 2.445 2.831 15.604 1.00 0.00 N ATOM 714 CA LEU A 44 2.453 1.342 15.585 1.00 0.00 C ATOM 715 C LEU A 44 1.547 0.857 16.714 1.00 0.00 C ATOM 716 O LEU A 44 0.879 -0.146 16.601 1.00 0.00 O ATOM 717 CB LEU A 44 3.879 0.817 15.794 1.00 0.00 C ATOM 718 CG LEU A 44 3.883 -0.720 15.856 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.256 -1.310 14.581 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.329 -1.208 15.991 1.00 0.00 C ATOM 0 H LEU A 44 3.335 3.274 15.832 1.00 0.00 H new ATOM 0 HA LEU A 44 2.095 0.974 14.623 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.521 1.156 14.981 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.292 1.225 16.717 1.00 0.00 H new ATOM 0 HG LEU A 44 3.296 -1.047 16.715 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.266 -2.398 14.640 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.228 -0.962 14.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.829 -0.989 13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.343 -2.297 16.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.908 -0.873 15.130 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.766 -0.802 16.903 1.00 0.00 H new ATOM 732 N VAL A 45 1.505 1.589 17.797 1.00 0.00 N ATOM 733 CA VAL A 45 0.627 1.208 18.947 1.00 0.00 C ATOM 734 C VAL A 45 -0.037 2.478 19.467 1.00 0.00 C ATOM 735 O VAL A 45 0.443 3.573 19.249 1.00 0.00 O ATOM 736 CB VAL A 45 1.460 0.542 20.051 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.423 -0.466 19.422 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.259 1.603 20.821 1.00 0.00 C ATOM 0 H VAL A 45 2.046 2.442 17.936 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.132 0.493 18.628 1.00 0.00 H new ATOM 0 HB VAL A 45 0.792 0.029 20.743 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.016 -0.940 20.204 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.855 -1.226 18.886 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.086 0.049 18.727 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.847 1.120 21.602 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.926 2.125 20.135 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.572 2.318 21.274 1.00 0.00 H new ATOM 748 N ALA A 46 -1.143 2.350 20.129 1.00 0.00 N ATOM 749 CA ALA A 46 -1.835 3.561 20.627 1.00 0.00 C ATOM 750 C ALA A 46 -1.034 4.180 21.773 1.00 0.00 C ATOM 751 O ALA A 46 -1.469 4.224 22.907 1.00 0.00 O ATOM 752 CB ALA A 46 -3.244 3.177 21.082 1.00 0.00 C ATOM 0 H ALA A 46 -1.598 1.463 20.347 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.913 4.303 19.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.761 4.063 21.451 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.796 2.758 20.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.180 2.436 21.879 1.00 0.00 H new ATOM 758 N THR A 47 0.137 4.672 21.467 1.00 0.00 N ATOM 759 CA THR A 47 0.991 5.311 22.509 1.00 0.00 C ATOM 760 C THR A 47 1.897 6.355 21.845 1.00 0.00 C ATOM 761 O THR A 47 2.257 7.350 22.442 1.00 0.00 O ATOM 762 CB THR A 47 1.852 4.249 23.193 1.00 0.00 C ATOM 763 OG1 THR A 47 1.043 3.129 23.524 1.00 0.00 O ATOM 764 CG2 THR A 47 2.460 4.833 24.465 1.00 0.00 C ATOM 0 H THR A 47 0.542 4.658 20.531 1.00 0.00 H new ATOM 0 HA THR A 47 0.358 5.793 23.254 1.00 0.00 H new ATOM 0 HB THR A 47 2.650 3.935 22.520 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.593 2.446 23.961 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.074 4.078 24.955 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.078 5.694 24.211 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.663 5.145 25.139 1.00 0.00 H new ATOM 772 N ASP A 48 2.268 6.127 20.614 1.00 0.00 N ATOM 773 CA ASP A 48 3.150 7.091 19.899 1.00 0.00 C ATOM 774 C ASP A 48 2.369 8.382 19.604 1.00 0.00 C ATOM 775 O ASP A 48 1.329 8.631 20.180 1.00 0.00 O ATOM 776 CB ASP A 48 3.627 6.437 18.589 1.00 0.00 C ATOM 777 CG ASP A 48 4.871 5.583 18.851 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.782 4.675 19.662 1.00 0.00 O ATOM 779 OD2 ASP A 48 5.890 5.851 18.237 1.00 0.00 O ATOM 0 H ASP A 48 1.995 5.308 20.070 1.00 0.00 H new ATOM 0 HA ASP A 48 4.014 7.345 20.514 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.833 5.818 18.172 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.853 7.206 17.850 1.00 0.00 H new ATOM 784 N ARG A 49 2.869 9.200 18.708 1.00 0.00 N ATOM 785 CA ARG A 49 2.173 10.481 18.356 1.00 0.00 C ATOM 786 C ARG A 49 2.066 10.591 16.836 1.00 0.00 C ATOM 787 O ARG A 49 2.377 9.661 16.122 1.00 0.00 O ATOM 788 CB ARG A 49 2.985 11.671 18.888 1.00 0.00 C ATOM 789 CG ARG A 49 2.920 11.732 20.439 1.00 0.00 C ATOM 790 CD ARG A 49 2.689 13.175 20.897 1.00 0.00 C ATOM 791 NE ARG A 49 2.672 13.230 22.385 1.00 0.00 N ATOM 792 CZ ARG A 49 2.784 14.377 22.998 1.00 0.00 C ATOM 793 NH1 ARG A 49 2.911 15.476 22.306 1.00 0.00 N ATOM 794 NH2 ARG A 49 2.768 14.423 24.301 1.00 0.00 N ATOM 0 H ARG A 49 3.738 9.034 18.200 1.00 0.00 H new ATOM 0 HA ARG A 49 1.178 10.489 18.802 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.023 11.582 18.566 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.598 12.599 18.466 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.115 11.093 20.803 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.848 11.350 20.865 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.476 13.821 20.508 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.745 13.547 20.498 1.00 0.00 H new ATOM 0 HE ARG A 49 2.573 12.371 22.926 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.923 15.438 21.287 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.999 16.373 22.784 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.668 13.563 24.840 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.855 15.319 24.781 1.00 0.00 H new ATOM 808 N VAL A 50 1.628 11.720 16.332 1.00 0.00 N ATOM 809 CA VAL A 50 1.493 11.884 14.849 1.00 0.00 C ATOM 810 C VAL A 50 1.542 13.381 14.489 1.00 0.00 C ATOM 811 O VAL A 50 0.877 14.181 15.117 1.00 0.00 O ATOM 812 CB VAL A 50 0.134 11.338 14.391 1.00 0.00 C ATOM 813 CG1 VAL A 50 0.053 9.837 14.668 1.00 0.00 C ATOM 814 CG2 VAL A 50 -0.991 12.059 15.144 1.00 0.00 C ATOM 0 H VAL A 50 1.358 12.535 16.883 1.00 0.00 H new ATOM 0 HA VAL A 50 2.306 11.345 14.362 1.00 0.00 H new ATOM 0 HB VAL A 50 0.025 11.510 13.320 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.915 9.458 14.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.847 9.324 14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.169 9.657 15.737 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.955 11.670 14.817 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.877 11.893 16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.942 13.128 14.935 1.00 0.00 H new ATOM 824 N PRO A 51 2.299 13.773 13.481 1.00 0.00 N ATOM 825 CA PRO A 51 2.373 15.201 13.063 1.00 0.00 C ATOM 826 C PRO A 51 1.005 15.886 13.115 1.00 0.00 C ATOM 827 O PRO A 51 0.008 15.354 12.672 1.00 0.00 O ATOM 828 CB PRO A 51 2.895 15.115 11.629 1.00 0.00 C ATOM 829 CG PRO A 51 3.773 13.904 11.620 1.00 0.00 C ATOM 830 CD PRO A 51 3.164 12.923 12.635 1.00 0.00 C ATOM 0 HA PRO A 51 3.006 15.798 13.719 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.078 15.017 10.915 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.452 16.011 11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.813 13.460 10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.796 14.163 11.895 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.591 12.140 12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.936 12.428 13.224 1.00 0.00 H new ATOM 838 N ALA A 52 0.951 17.054 13.673 1.00 0.00 N ATOM 839 CA ALA A 52 -0.345 17.775 13.777 1.00 0.00 C ATOM 840 C ALA A 52 -0.978 17.951 12.393 1.00 0.00 C ATOM 841 O ALA A 52 -2.184 17.968 12.253 1.00 0.00 O ATOM 842 CB ALA A 52 -0.095 19.139 14.417 1.00 0.00 C ATOM 0 H ALA A 52 1.753 17.547 14.066 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.034 17.196 14.391 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.038 19.680 14.500 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.333 19.002 15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.598 19.710 13.798 1.00 0.00 H new ATOM 848 N GLY A 53 -0.181 18.092 11.373 1.00 0.00 N ATOM 849 CA GLY A 53 -0.751 18.278 10.008 1.00 0.00 C ATOM 850 C GLY A 53 -1.250 16.939 9.462 1.00 0.00 C ATOM 851 O GLY A 53 -1.869 16.880 8.418 1.00 0.00 O ATOM 0 H GLY A 53 0.838 18.087 11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.572 18.995 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.006 18.692 9.342 1.00 0.00 H new ATOM 855 N LYS A 54 -0.980 15.860 10.148 1.00 0.00 N ATOM 856 CA LYS A 54 -1.432 14.523 9.657 1.00 0.00 C ATOM 857 C LYS A 54 -2.805 14.199 10.261 1.00 0.00 C ATOM 858 O LYS A 54 -3.227 14.798 11.230 1.00 0.00 O ATOM 859 CB LYS A 54 -0.393 13.461 10.077 1.00 0.00 C ATOM 860 CG LYS A 54 0.708 13.270 9.001 1.00 0.00 C ATOM 861 CD LYS A 54 1.063 14.592 8.278 1.00 0.00 C ATOM 862 CE LYS A 54 2.499 14.529 7.746 1.00 0.00 C ATOM 863 NZ LYS A 54 2.823 15.804 7.045 1.00 0.00 N ATOM 0 H LYS A 54 -0.465 15.846 11.028 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.520 14.528 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.068 13.757 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.897 12.511 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.604 12.864 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.372 12.537 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.369 14.764 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.957 15.432 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.196 14.365 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.609 13.687 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.797 15.763 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.164 15.941 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.734 16.598 7.710 1.00 0.00 H new ATOM 877 N ARG A 55 -3.504 13.258 9.684 1.00 0.00 N ATOM 878 CA ARG A 55 -4.849 12.894 10.207 1.00 0.00 C ATOM 879 C ARG A 55 -4.703 11.991 11.432 1.00 0.00 C ATOM 880 O ARG A 55 -4.192 10.891 11.346 1.00 0.00 O ATOM 881 CB ARG A 55 -5.625 12.140 9.127 1.00 0.00 C ATOM 882 CG ARG A 55 -5.759 13.016 7.859 1.00 0.00 C ATOM 883 CD ARG A 55 -7.119 12.772 7.208 1.00 0.00 C ATOM 884 NE ARG A 55 -7.321 11.309 7.013 1.00 0.00 N ATOM 885 CZ ARG A 55 -8.516 10.842 6.787 1.00 0.00 C ATOM 886 NH1 ARG A 55 -9.535 11.655 6.744 1.00 0.00 N ATOM 887 NH2 ARG A 55 -8.695 9.562 6.609 1.00 0.00 N ATOM 0 H ARG A 55 -3.198 12.725 8.870 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.382 13.803 10.485 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.113 11.209 8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.614 11.872 9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.653 14.069 8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.960 12.780 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.912 13.179 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.173 13.288 6.250 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.524 10.673 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.396 12.655 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.471 11.291 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.899 8.926 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.631 9.198 6.432 1.00 0.00 H new ATOM 901 N ASP A 56 -5.156 12.439 12.569 1.00 0.00 N ATOM 902 CA ASP A 56 -5.050 11.597 13.792 1.00 0.00 C ATOM 903 C ASP A 56 -5.705 10.244 13.521 1.00 0.00 C ATOM 904 O ASP A 56 -6.615 10.135 12.722 1.00 0.00 O ATOM 905 CB ASP A 56 -5.762 12.290 14.957 1.00 0.00 C ATOM 906 CG ASP A 56 -7.143 12.762 14.500 1.00 0.00 C ATOM 907 OD1 ASP A 56 -8.040 11.938 14.442 1.00 0.00 O ATOM 908 OD2 ASP A 56 -7.281 13.941 14.216 1.00 0.00 O ATOM 0 H ASP A 56 -5.594 13.350 12.704 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.001 11.453 14.051 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.860 11.603 15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.172 13.138 15.305 1.00 0.00 H new ATOM 913 N ALA A 57 -5.253 9.210 14.173 1.00 0.00 N ATOM 914 CA ALA A 57 -5.856 7.870 13.936 1.00 0.00 C ATOM 915 C ALA A 57 -5.433 6.922 15.050 1.00 0.00 C ATOM 916 O ALA A 57 -4.520 7.202 15.801 1.00 0.00 O ATOM 917 CB ALA A 57 -5.351 7.314 12.599 1.00 0.00 C ATOM 0 H ALA A 57 -4.496 9.234 14.856 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.942 7.961 13.916 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.791 6.333 12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.637 7.990 11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.265 7.224 12.629 1.00 0.00 H new ATOM 923 N ILE A 58 -6.061 5.787 15.145 1.00 0.00 N ATOM 924 CA ILE A 58 -5.656 4.821 16.185 1.00 0.00 C ATOM 925 C ILE A 58 -4.307 4.269 15.768 1.00 0.00 C ATOM 926 O ILE A 58 -3.636 4.834 14.928 1.00 0.00 O ATOM 927 CB ILE A 58 -6.668 3.674 16.256 1.00 0.00 C ATOM 928 CG1 ILE A 58 -6.682 2.904 14.920 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.061 4.235 16.529 1.00 0.00 C ATOM 930 CD1 ILE A 58 -7.853 1.899 14.878 1.00 0.00 C ATOM 0 H ILE A 58 -6.833 5.492 14.548 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.608 5.301 17.162 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.382 2.997 17.061 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.770 3.607 14.091 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.738 2.375 14.790 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.779 3.417 16.579 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.057 4.773 17.477 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.343 4.916 15.726 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.843 1.368 13.926 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.748 1.184 15.694 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.796 2.435 14.984 1.00 0.00 H new ATOM 942 N SER A 59 -3.911 3.164 16.320 1.00 0.00 N ATOM 943 CA SER A 59 -2.610 2.565 15.925 1.00 0.00 C ATOM 944 C SER A 59 -2.878 1.438 14.945 1.00 0.00 C ATOM 945 O SER A 59 -3.869 0.741 15.044 1.00 0.00 O ATOM 946 CB SER A 59 -1.911 2.019 17.161 1.00 0.00 C ATOM 947 OG SER A 59 -2.299 0.667 17.370 1.00 0.00 O ATOM 0 H SER A 59 -4.431 2.647 17.029 1.00 0.00 H new ATOM 0 HA SER A 59 -1.972 3.317 15.460 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.830 2.083 17.038 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.169 2.621 18.033 1.00 0.00 H new ATOM 0 HG SER A 59 -2.272 0.463 18.328 1.00 0.00 H new ATOM 953 N LEU A 60 -2.007 1.255 13.996 1.00 0.00 N ATOM 954 CA LEU A 60 -2.205 0.171 13.001 1.00 0.00 C ATOM 955 C LEU A 60 -2.603 -1.110 13.745 1.00 0.00 C ATOM 956 O LEU A 60 -3.429 -1.880 13.299 1.00 0.00 O ATOM 957 CB LEU A 60 -0.885 -0.039 12.245 1.00 0.00 C ATOM 958 CG LEU A 60 -0.882 -1.362 11.463 1.00 0.00 C ATOM 959 CD1 LEU A 60 -2.080 -1.404 10.498 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.441 -1.476 10.675 1.00 0.00 C ATOM 0 H LEU A 60 -1.163 1.813 13.867 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.991 0.430 12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.724 0.791 11.557 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.056 -0.032 12.952 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.966 -2.199 12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.071 -2.345 9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.007 -1.325 11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.012 -0.572 9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.452 -2.412 10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.525 -0.639 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.281 -1.458 11.369 1.00 0.00 H new ATOM 972 N ARG A 61 -2.014 -1.334 14.885 1.00 0.00 N ATOM 973 CA ARG A 61 -2.340 -2.550 15.674 1.00 0.00 C ATOM 974 C ARG A 61 -3.834 -2.558 16.017 1.00 0.00 C ATOM 975 O ARG A 61 -4.443 -3.602 16.126 1.00 0.00 O ATOM 976 CB ARG A 61 -1.503 -2.552 16.960 1.00 0.00 C ATOM 977 CG ARG A 61 -0.031 -2.928 16.642 1.00 0.00 C ATOM 978 CD ARG A 61 0.222 -4.412 16.935 1.00 0.00 C ATOM 979 NE ARG A 61 1.408 -4.885 16.163 1.00 0.00 N ATOM 980 CZ ARG A 61 2.000 -6.000 16.498 1.00 0.00 C ATOM 981 NH1 ARG A 61 1.557 -6.697 17.508 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.037 -6.417 15.823 1.00 0.00 N ATOM 0 H ARG A 61 -1.316 -0.721 15.306 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.110 -3.442 15.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.541 -1.569 17.429 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.921 -3.262 17.673 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.186 -2.716 15.595 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.644 -2.314 17.238 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.390 -4.558 18.002 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.656 -5.000 16.667 1.00 0.00 H new ATOM 0 HE ARG A 61 1.756 -4.339 15.375 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.748 -6.371 18.037 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.020 -7.568 17.769 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.385 -5.872 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.499 -7.288 16.085 1.00 0.00 H new ATOM 996 N GLU A 62 -4.439 -1.406 16.177 1.00 0.00 N ATOM 997 CA GLU A 62 -5.893 -1.380 16.495 1.00 0.00 C ATOM 998 C GLU A 62 -6.677 -1.655 15.211 1.00 0.00 C ATOM 999 O GLU A 62 -7.644 -2.390 15.209 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.279 -0.018 17.069 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.662 0.145 18.460 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.432 -0.712 19.466 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.652 -0.679 19.433 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -5.790 -1.387 20.254 1.00 0.00 O ATOM 0 H GLU A 62 -3.991 -0.493 16.101 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.125 -2.142 17.239 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.931 0.778 16.410 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.364 0.069 17.129 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.613 -0.152 18.441 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.691 1.192 18.761 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.252 -1.091 14.108 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.962 -1.350 12.825 1.00 0.00 C ATOM 1013 C LYS A 63 -6.807 -2.829 12.484 1.00 0.00 C ATOM 1014 O LYS A 63 -7.728 -3.478 12.040 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.346 -0.507 11.703 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.677 0.971 11.922 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.398 1.754 10.640 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.468 3.253 10.935 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.560 4.008 9.654 1.00 0.00 N ATOM 0 H LYS A 63 -5.448 -0.466 14.043 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.015 -1.086 12.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.265 -0.648 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.729 -0.835 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.723 1.081 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.079 1.370 12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.414 1.495 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.126 1.489 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.333 3.471 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.585 3.567 11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.608 5.027 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.721 3.808 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.415 3.716 9.140 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.641 -3.366 12.705 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.413 -4.807 12.411 1.00 0.00 C ATOM 1035 C ILE A 64 -6.363 -5.641 13.281 1.00 0.00 C ATOM 1036 O ILE A 64 -6.999 -6.567 12.818 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.937 -5.147 12.721 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -3.069 -4.759 11.515 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.761 -6.646 13.005 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.586 -4.832 11.886 1.00 0.00 C ATOM 0 H ILE A 64 -4.833 -2.867 13.078 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.611 -5.030 11.363 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.633 -4.590 13.607 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.276 -5.427 10.679 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.320 -3.750 11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.713 -6.855 13.220 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.370 -6.928 13.864 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.075 -7.221 12.133 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.981 -4.555 11.023 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.382 -4.145 12.708 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.337 -5.848 12.192 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.455 -5.315 14.539 1.00 0.00 N ATOM 1053 CA ALA A 65 -7.354 -6.078 15.453 1.00 0.00 C ATOM 1054 C ALA A 65 -8.789 -6.069 14.916 1.00 0.00 C ATOM 1055 O ALA A 65 -9.563 -6.962 15.191 1.00 0.00 O ATOM 1056 CB ALA A 65 -7.333 -5.432 16.840 1.00 0.00 C ATOM 0 H ALA A 65 -5.944 -4.549 14.978 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.003 -7.108 15.515 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.989 -5.988 17.510 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.316 -5.447 17.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.679 -4.401 16.766 1.00 0.00 H new ATOM 1062 N GLU A 66 -9.158 -5.068 14.163 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.550 -5.023 13.633 1.00 0.00 C ATOM 1064 C GLU A 66 -10.703 -6.066 12.528 1.00 0.00 C ATOM 1065 O GLU A 66 -11.730 -6.698 12.389 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.842 -3.630 13.065 1.00 0.00 C ATOM 1067 CG GLU A 66 -11.035 -2.637 14.213 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.422 -1.268 13.645 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -10.561 -0.619 13.077 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.574 -0.895 13.791 1.00 0.00 O ATOM 0 H GLU A 66 -8.561 -4.286 13.894 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.252 -5.237 14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.020 -3.307 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.736 -3.660 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.811 -2.994 14.890 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.117 -2.555 14.795 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.682 -6.248 11.741 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.749 -7.246 10.640 1.00 0.00 C ATOM 1079 C LEU A 67 -9.776 -8.656 11.234 1.00 0.00 C ATOM 1080 O LEU A 67 -10.286 -9.584 10.638 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.516 -7.096 9.741 1.00 0.00 C ATOM 1082 CG LEU A 67 -8.237 -5.613 9.481 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.981 -5.474 8.623 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.429 -4.988 8.750 1.00 0.00 C ATOM 0 H LEU A 67 -8.798 -5.745 11.814 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.652 -7.080 10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.651 -7.560 10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.679 -7.615 8.797 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.086 -5.100 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.782 -4.418 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.133 -5.917 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.131 -5.987 7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.230 -3.932 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.582 -5.500 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.324 -5.086 9.364 1.00 0.00 H new ATOM 1096 N GLN A 68 -9.214 -8.822 12.399 1.00 0.00 N ATOM 1097 CA GLN A 68 -9.185 -10.169 13.036 1.00 0.00 C ATOM 1098 C GLN A 68 -10.505 -10.440 13.770 1.00 0.00 C ATOM 1099 O GLN A 68 -10.953 -11.567 13.850 1.00 0.00 O ATOM 1100 CB GLN A 68 -8.014 -10.227 14.029 1.00 0.00 C ATOM 1101 CG GLN A 68 -6.705 -10.468 13.272 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.521 -10.295 14.226 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.703 -10.100 15.411 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -4.305 -10.358 13.754 1.00 0.00 N ATOM 0 H GLN A 68 -8.771 -8.079 12.940 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.055 -10.930 12.266 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.954 -9.294 14.590 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.178 -11.025 14.753 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.699 -11.472 12.847 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.620 -9.769 12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.152 -10.522 12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.508 -10.243 14.380 1.00 0.00 H new