USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 78 ASN : amide:sc= -6.84! X(o=-8.1!,f=-8.5) USER MOD Set 1.2: A 97 GLN : amide:sc= -1.31 K(o=-8.1,f=-9.6) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -2.67! C(o=-3.2!,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.156 K(o=0.16,f=-1.3) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0285 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -170:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.26) USER MOD Single : A 65 THR OG1 : rot -88:sc= 0.761 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 152:sc= -1.84 (180deg=-3.98!) USER MOD Single : A 73 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -131:sc= -1.25 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.371 K(o=-0.37,f=-3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.798 USER MOD Single : A 110 ASN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 111 MET CE :methyl -166:sc= -0.348 (180deg=-0.86) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.134 -14.692 4.337 1.00 0.00 N ATOM 84 CA TYR A 9 -7.846 -15.087 2.969 1.00 0.00 C ATOM 85 C TYR A 9 -7.261 -16.499 2.918 1.00 0.00 C ATOM 86 O TYR A 9 -6.747 -16.999 3.917 1.00 0.00 O ATOM 87 CB TYR A 9 -6.800 -14.095 2.455 1.00 0.00 C ATOM 88 CG TYR A 9 -7.392 -12.792 1.914 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.504 -12.826 1.097 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.813 -11.582 2.241 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.060 -11.599 0.587 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.370 -10.357 1.732 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.466 -10.425 0.929 1.00 0.00 C ATOM 94 OH TYR A 9 -8.992 -9.267 0.448 1.00 0.00 O ATOM 0 HA TYR A 9 -8.756 -15.084 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.109 -13.860 3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.218 -14.572 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.957 -13.772 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.942 -11.555 2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.930 -11.611 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.928 -9.404 1.982 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.466 -8.508 0.775 1.00 0.00 H new ATOM 104 N ILE A 10 -7.358 -17.104 1.742 1.00 0.00 N ATOM 105 CA ILE A 10 -6.844 -18.449 1.548 1.00 0.00 C ATOM 106 C ILE A 10 -5.315 -18.415 1.581 1.00 0.00 C ATOM 107 O ILE A 10 -4.668 -19.461 1.626 1.00 0.00 O ATOM 108 CB ILE A 10 -7.418 -19.061 0.269 1.00 0.00 C ATOM 109 CG1 ILE A 10 -6.899 -18.329 -0.970 1.00 0.00 C ATOM 110 CG2 ILE A 10 -8.947 -19.096 0.315 1.00 0.00 C ATOM 111 CD1 ILE A 10 -5.617 -18.980 -1.495 1.00 0.00 C ATOM 0 H ILE A 10 -7.785 -16.687 0.915 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.166 -19.102 2.359 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.074 -20.093 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.662 -18.339 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.707 -17.284 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.329 -19.536 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.272 -19.696 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.331 -18.081 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.269 -18.440 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.849 -18.946 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.819 -20.018 -1.761 1.00 0.00 H new ATOM 123 N PHE A 11 -4.780 -17.203 1.560 1.00 0.00 N ATOM 124 CA PHE A 11 -3.339 -17.021 1.587 1.00 0.00 C ATOM 125 C PHE A 11 -2.902 -16.299 2.864 1.00 0.00 C ATOM 126 O PHE A 11 -3.722 -15.689 3.548 1.00 0.00 O ATOM 127 CB PHE A 11 -2.974 -16.157 0.378 1.00 0.00 C ATOM 128 CG PHE A 11 -3.943 -15.000 0.125 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.804 -13.835 0.813 1.00 0.00 C ATOM 130 CD2 PHE A 11 -4.942 -15.135 -0.787 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.703 -12.760 0.579 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.841 -14.061 -1.021 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.702 -12.897 -0.334 1.00 0.00 C ATOM 0 H PHE A 11 -5.319 -16.338 1.525 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.841 -17.990 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.972 -15.753 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.939 -16.789 -0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.010 -13.727 1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.052 -16.060 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.593 -11.835 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.635 -14.169 -1.745 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.385 -12.080 -0.513 1.00 0.00 H new ATOM 143 N PRO A 12 -1.577 -16.397 3.153 1.00 0.00 N ATOM 144 CA PRO A 12 -1.021 -15.762 4.336 1.00 0.00 C ATOM 145 C PRO A 12 -0.903 -14.248 4.142 1.00 0.00 C ATOM 146 O PRO A 12 -0.196 -13.787 3.248 1.00 0.00 O ATOM 147 CB PRO A 12 0.322 -16.439 4.552 1.00 0.00 C ATOM 148 CG PRO A 12 0.676 -17.095 3.227 1.00 0.00 C ATOM 149 CD PRO A 12 -0.576 -17.111 2.366 1.00 0.00 C ATOM 0 HA PRO A 12 -1.657 -15.879 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.082 -15.714 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.263 -17.179 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.474 -16.544 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.041 -18.109 3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.403 -16.622 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.895 -18.131 2.151 1.00 0.00 H new ATOM 157 N HIS A 13 -1.607 -13.518 4.994 1.00 0.00 N ATOM 158 CA HIS A 13 -1.589 -12.066 4.927 1.00 0.00 C ATOM 159 C HIS A 13 -1.455 -11.489 6.338 1.00 0.00 C ATOM 160 O HIS A 13 -1.478 -12.229 7.320 1.00 0.00 O ATOM 161 CB HIS A 13 -2.822 -11.542 4.186 1.00 0.00 C ATOM 162 CG HIS A 13 -3.985 -11.207 5.090 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.267 -11.606 6.363 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -5.018 -10.373 4.702 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -5.410 -11.042 6.735 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -5.877 -10.278 5.707 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.193 -13.904 5.734 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.724 -11.735 4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.544 -10.651 3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.142 -12.290 3.461 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.109 -9.883 3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.891 -11.168 7.694 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.737 -9.729 5.711 1.00 0.00 H new ATOM 174 N ALA A 14 -1.319 -10.173 6.393 1.00 0.00 N ATOM 175 CA ALA A 14 -1.182 -9.487 7.667 1.00 0.00 C ATOM 176 C ALA A 14 -1.728 -8.063 7.537 1.00 0.00 C ATOM 177 O ALA A 14 -1.683 -7.474 6.458 1.00 0.00 O ATOM 178 CB ALA A 14 0.284 -9.512 8.104 1.00 0.00 C ATOM 0 H ALA A 14 -1.301 -9.563 5.576 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.762 -9.992 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.388 -8.998 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.614 -10.545 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.896 -9.011 7.354 1.00 0.00 H new ATOM 184 N ARG A 15 -2.230 -7.553 8.652 1.00 0.00 N ATOM 185 CA ARG A 15 -2.784 -6.210 8.676 1.00 0.00 C ATOM 186 C ARG A 15 -2.076 -5.363 9.735 1.00 0.00 C ATOM 187 O ARG A 15 -2.442 -5.397 10.909 1.00 0.00 O ATOM 188 CB ARG A 15 -4.284 -6.238 8.975 1.00 0.00 C ATOM 189 CG ARG A 15 -5.097 -5.842 7.740 1.00 0.00 C ATOM 190 CD ARG A 15 -6.474 -5.307 8.139 1.00 0.00 C ATOM 191 NE ARG A 15 -7.028 -4.474 7.048 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.322 -4.142 6.939 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.202 -4.570 7.854 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.735 -3.381 5.916 1.00 0.00 N ATOM 0 H ARG A 15 -2.265 -8.045 9.545 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.630 -5.770 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.575 -7.237 9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.508 -5.557 9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.558 -5.083 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.214 -6.705 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.148 -6.137 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.394 -4.718 9.053 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.385 -4.131 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.887 -5.148 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.187 -4.318 7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.065 -3.054 5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.720 -3.129 5.833 1.00 0.00 H new ATOM 208 N ILE A 16 -1.074 -4.623 9.283 1.00 0.00 N ATOM 209 CA ILE A 16 -0.311 -3.769 10.177 1.00 0.00 C ATOM 210 C ILE A 16 -0.508 -2.307 9.770 1.00 0.00 C ATOM 211 O ILE A 16 -0.180 -1.923 8.648 1.00 0.00 O ATOM 212 CB ILE A 16 1.154 -4.205 10.215 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.305 -5.559 10.911 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.031 -3.129 10.859 1.00 0.00 C ATOM 215 CD1 ILE A 16 0.988 -6.709 9.952 1.00 0.00 C ATOM 0 H ILE A 16 -0.773 -4.597 8.309 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.674 -3.867 11.200 1.00 0.00 H new ATOM 0 HB ILE A 16 1.499 -4.330 9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.322 -5.666 11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.639 -5.605 11.772 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.068 -3.465 10.873 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.956 -2.206 10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.694 -2.948 11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.103 -7.659 10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.037 -6.613 9.595 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.672 -6.675 9.104 1.00 0.00 H new ATOM 227 N LYS A 17 -1.040 -1.532 10.703 1.00 0.00 N ATOM 228 CA LYS A 17 -1.283 -0.121 10.455 1.00 0.00 C ATOM 229 C LYS A 17 -0.032 0.680 10.820 1.00 0.00 C ATOM 230 O LYS A 17 0.550 0.476 11.885 1.00 0.00 O ATOM 231 CB LYS A 17 -2.545 0.342 11.186 1.00 0.00 C ATOM 232 CG LYS A 17 -2.211 1.396 12.243 1.00 0.00 C ATOM 233 CD LYS A 17 -1.608 0.748 13.492 1.00 0.00 C ATOM 234 CE LYS A 17 -2.530 0.922 14.699 1.00 0.00 C ATOM 235 NZ LYS A 17 -2.260 -0.122 15.712 1.00 0.00 N ATOM 0 H LYS A 17 -1.310 -1.854 11.632 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.474 0.052 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.255 0.754 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.029 -0.512 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.509 2.121 11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.114 1.944 12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.438 -0.313 13.310 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.637 1.194 13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.383 1.909 15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.571 0.867 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.895 0.011 16.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.423 -1.061 15.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.272 -0.051 16.029 1.00 0.00 H new ATOM 249 N ILE A 18 0.345 1.573 9.918 1.00 0.00 N ATOM 250 CA ILE A 18 1.517 2.405 10.132 1.00 0.00 C ATOM 251 C ILE A 18 1.172 3.518 11.123 1.00 0.00 C ATOM 252 O ILE A 18 0.283 4.330 10.867 1.00 0.00 O ATOM 253 CB ILE A 18 2.061 2.917 8.798 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.136 1.790 7.767 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.413 3.610 8.987 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.487 2.211 6.446 1.00 0.00 C ATOM 0 H ILE A 18 -0.140 1.739 9.036 1.00 0.00 H new ATOM 0 HA ILE A 18 2.323 1.821 10.575 1.00 0.00 H new ATOM 0 HB ILE A 18 1.367 3.663 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.178 1.519 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.636 0.903 8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.778 3.965 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.297 4.456 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.128 2.903 9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.554 1.392 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.439 2.458 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.005 3.084 6.048 1.00 0.00 H new ATOM 268 N THR A 19 1.892 3.522 12.235 1.00 0.00 N ATOM 269 CA THR A 19 1.673 4.522 13.266 1.00 0.00 C ATOM 270 C THR A 19 2.868 5.475 13.349 1.00 0.00 C ATOM 271 O THR A 19 4.015 5.033 13.404 1.00 0.00 O ATOM 272 CB THR A 19 1.387 3.793 14.580 1.00 0.00 C ATOM 273 OG1 THR A 19 1.726 2.436 14.305 1.00 0.00 O ATOM 274 CG2 THR A 19 -0.107 3.744 14.908 1.00 0.00 C ATOM 0 H THR A 19 2.628 2.848 12.445 1.00 0.00 H new ATOM 0 HA THR A 19 0.813 5.149 13.031 1.00 0.00 H new ATOM 0 HB THR A 19 1.922 4.285 15.392 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.572 1.892 15.105 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.256 3.216 15.850 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.494 4.759 14.996 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.637 3.222 14.112 1.00 0.00 H new ATOM 449 N LEU A 32 5.445 9.461 6.238 1.00 0.00 N ATOM 450 CA LEU A 32 5.490 8.011 6.329 1.00 0.00 C ATOM 451 C LEU A 32 6.748 7.499 5.624 1.00 0.00 C ATOM 452 O LEU A 32 7.743 7.182 6.274 1.00 0.00 O ATOM 453 CB LEU A 32 4.193 7.401 5.793 1.00 0.00 C ATOM 454 CG LEU A 32 3.229 6.847 6.844 1.00 0.00 C ATOM 455 CD1 LEU A 32 3.157 7.768 8.063 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.848 6.589 6.238 1.00 0.00 C ATOM 0 HA LEU A 32 5.557 7.696 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.670 8.161 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.450 6.596 5.105 1.00 0.00 H new ATOM 0 HG LEU A 32 3.614 5.888 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.465 7.350 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.147 7.858 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.808 8.753 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.182 6.196 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.442 7.522 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.936 5.865 5.428 1.00 0.00 H new ATOM 468 N GLY A 33 6.663 7.435 4.303 1.00 0.00 N ATOM 469 CA GLY A 33 7.782 6.967 3.503 1.00 0.00 C ATOM 470 C GLY A 33 7.524 5.555 2.971 1.00 0.00 C ATOM 471 O GLY A 33 7.911 4.571 3.599 1.00 0.00 O ATOM 0 H GLY A 33 5.837 7.699 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.948 7.649 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.691 6.972 4.105 1.00 0.00 H new ATOM 475 N ILE A 34 6.871 5.503 1.819 1.00 0.00 N ATOM 476 CA ILE A 34 6.556 4.228 1.196 1.00 0.00 C ATOM 477 C ILE A 34 6.361 4.435 -0.307 1.00 0.00 C ATOM 478 O ILE A 34 5.703 5.388 -0.725 1.00 0.00 O ATOM 479 CB ILE A 34 5.358 3.575 1.888 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.177 2.129 1.423 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.088 4.405 1.685 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.632 1.253 2.552 1.00 0.00 C ATOM 0 H ILE A 34 6.552 6.322 1.301 1.00 0.00 H new ATOM 0 HA ILE A 34 7.384 3.529 1.317 1.00 0.00 H new ATOM 0 HB ILE A 34 5.557 3.546 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.495 2.099 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.132 1.732 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.251 3.919 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.233 5.401 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.874 4.487 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.513 0.230 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.328 1.265 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.666 1.638 2.877 1.00 0.00 H new ATOM 494 N ARG A 35 6.944 3.530 -1.078 1.00 0.00 N ATOM 495 CA ARG A 35 6.842 3.601 -2.525 1.00 0.00 C ATOM 496 C ARG A 35 6.117 2.369 -3.069 1.00 0.00 C ATOM 497 O ARG A 35 6.651 1.261 -3.027 1.00 0.00 O ATOM 498 CB ARG A 35 8.226 3.696 -3.171 1.00 0.00 C ATOM 499 CG ARG A 35 8.847 5.074 -2.938 1.00 0.00 C ATOM 500 CD ARG A 35 9.333 5.685 -4.254 1.00 0.00 C ATOM 501 NE ARG A 35 8.958 7.115 -4.316 1.00 0.00 N ATOM 502 CZ ARG A 35 9.381 7.962 -5.266 1.00 0.00 C ATOM 503 NH1 ARG A 35 10.196 7.527 -6.237 1.00 0.00 N ATOM 504 NH2 ARG A 35 8.990 9.244 -5.243 1.00 0.00 N ATOM 0 H ARG A 35 7.489 2.743 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 35 6.275 4.498 -2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.877 2.925 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.145 3.506 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.113 5.734 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.682 4.988 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.415 5.580 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.896 5.149 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 35 8.339 7.479 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.495 6.552 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.518 8.171 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.371 9.575 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.312 9.888 -5.965 1.00 0.00 H new ATOM 518 N ILE A 36 4.910 2.603 -3.565 1.00 0.00 N ATOM 519 CA ILE A 36 4.106 1.525 -4.115 1.00 0.00 C ATOM 520 C ILE A 36 3.859 1.788 -5.602 1.00 0.00 C ATOM 521 O ILE A 36 3.450 2.883 -5.983 1.00 0.00 O ATOM 522 CB ILE A 36 2.824 1.343 -3.300 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.115 0.655 -1.965 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.761 0.598 -4.110 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.930 0.794 -1.007 1.00 0.00 C ATOM 0 H ILE A 36 4.470 3.523 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 36 4.638 0.576 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 36 2.422 2.330 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.328 -0.400 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.006 1.092 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.860 0.482 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.525 1.166 -5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.140 -0.385 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.163 0.296 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.735 1.850 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.047 0.335 -1.451 1.00 0.00 H new ATOM 537 N VAL A 37 4.116 0.762 -6.402 1.00 0.00 N ATOM 538 CA VAL A 37 3.926 0.869 -7.838 1.00 0.00 C ATOM 539 C VAL A 37 2.686 0.071 -8.244 1.00 0.00 C ATOM 540 O VAL A 37 2.604 -1.129 -7.989 1.00 0.00 O ATOM 541 CB VAL A 37 5.193 0.417 -8.568 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.906 0.148 -10.047 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.315 1.445 -8.406 1.00 0.00 C ATOM 0 H VAL A 37 4.454 -0.146 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 37 3.754 1.906 -8.125 1.00 0.00 H new ATOM 0 HB VAL A 37 5.526 -0.517 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.822 -0.172 -10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.153 -0.636 -10.135 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.538 1.059 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.204 1.100 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.995 2.401 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.546 1.567 -7.348 1.00 0.00 H new ATOM 553 N GLY A 38 1.750 0.770 -8.872 1.00 0.00 N ATOM 554 CA GLY A 38 0.519 0.142 -9.316 1.00 0.00 C ATOM 555 C GLY A 38 0.634 -0.327 -10.767 1.00 0.00 C ATOM 556 O GLY A 38 1.671 -0.140 -11.404 1.00 0.00 O ATOM 0 H GLY A 38 1.821 1.765 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.288 -0.707 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.307 0.847 -9.223 1.00 0.00 H new ATOM 560 N GLY A 39 -0.444 -0.927 -11.250 1.00 0.00 N ATOM 561 CA GLY A 39 -0.477 -1.423 -12.615 1.00 0.00 C ATOM 562 C GLY A 39 0.683 -2.388 -12.876 1.00 0.00 C ATOM 563 O GLY A 39 1.382 -2.266 -13.880 1.00 0.00 O ATOM 0 H GLY A 39 -1.302 -1.081 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.425 -1.929 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.422 -0.586 -13.311 1.00 0.00 H new ATOM 567 N LYS A 40 0.849 -3.325 -11.953 1.00 0.00 N ATOM 568 CA LYS A 40 1.911 -4.309 -12.071 1.00 0.00 C ATOM 569 C LYS A 40 1.306 -5.714 -12.016 1.00 0.00 C ATOM 570 O LYS A 40 0.560 -6.037 -11.094 1.00 0.00 O ATOM 571 CB LYS A 40 2.990 -4.063 -11.014 1.00 0.00 C ATOM 572 CG LYS A 40 4.389 -4.213 -11.614 1.00 0.00 C ATOM 573 CD LYS A 40 5.237 -5.182 -10.787 1.00 0.00 C ATOM 574 CE LYS A 40 6.730 -4.911 -10.988 1.00 0.00 C ATOM 575 NZ LYS A 40 7.285 -5.805 -12.028 1.00 0.00 N ATOM 0 H LYS A 40 0.266 -3.423 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 40 2.413 -4.214 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.874 -3.062 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.866 -4.767 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.312 -4.575 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.878 -3.240 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.984 -5.083 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.008 -6.208 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.881 -3.871 -11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.262 -5.062 -10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.299 -5.607 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.158 -6.796 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.789 -5.641 -12.927 1.00 0.00 H new ATOM 589 N GLU A 41 1.652 -6.511 -13.017 1.00 0.00 N ATOM 590 CA GLU A 41 1.153 -7.874 -13.095 1.00 0.00 C ATOM 591 C GLU A 41 1.453 -8.624 -11.795 1.00 0.00 C ATOM 592 O GLU A 41 2.545 -8.501 -11.242 1.00 0.00 O ATOM 593 CB GLU A 41 1.744 -8.606 -14.300 1.00 0.00 C ATOM 594 CG GLU A 41 0.672 -9.422 -15.026 1.00 0.00 C ATOM 595 CD GLU A 41 1.117 -10.874 -15.208 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.090 -11.078 -15.966 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.475 -11.747 -14.587 1.00 0.00 O ATOM 0 H GLU A 41 2.272 -6.239 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 41 0.072 -7.838 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.185 -7.885 -14.988 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.547 -9.265 -13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.259 -9.392 -14.460 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.468 -8.976 -15.999 1.00 0.00 H new ATOM 604 N ILE A 42 0.466 -9.385 -11.346 1.00 0.00 N ATOM 605 CA ILE A 42 0.612 -10.156 -10.123 1.00 0.00 C ATOM 606 C ILE A 42 1.072 -11.572 -10.469 1.00 0.00 C ATOM 607 O ILE A 42 0.362 -12.310 -11.151 1.00 0.00 O ATOM 608 CB ILE A 42 -0.681 -10.111 -9.306 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.185 -8.674 -9.152 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.498 -10.802 -7.953 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.692 -8.647 -8.894 1.00 0.00 C ATOM 0 H ILE A 42 -0.438 -9.484 -11.807 1.00 0.00 H new ATOM 0 HA ILE A 42 1.381 -9.719 -9.486 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.447 -10.663 -9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.663 -8.188 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.956 -8.106 -10.054 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.431 -10.756 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.221 -11.844 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.288 -10.299 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.025 -7.614 -8.788 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.213 -9.112 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.914 -9.195 -7.978 1.00 0.00 H new ATOM 623 N PRO A 43 2.290 -11.918 -9.972 1.00 0.00 N ATOM 624 CA PRO A 43 2.854 -13.234 -10.222 1.00 0.00 C ATOM 625 C PRO A 43 2.163 -14.298 -9.366 1.00 0.00 C ATOM 626 O PRO A 43 2.787 -14.899 -8.493 1.00 0.00 O ATOM 627 CB PRO A 43 4.335 -13.093 -9.913 1.00 0.00 C ATOM 628 CG PRO A 43 4.465 -11.840 -9.060 1.00 0.00 C ATOM 629 CD PRO A 43 3.158 -11.070 -9.162 1.00 0.00 C ATOM 0 HA PRO A 43 2.705 -13.567 -11.249 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.708 -13.968 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.919 -13.004 -10.829 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.673 -12.104 -8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.297 -11.227 -9.406 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.727 -10.889 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.308 -10.096 -9.629 1.00 0.00 H new ATOM 637 N GLY A 44 0.884 -14.499 -9.647 1.00 0.00 N ATOM 638 CA GLY A 44 0.101 -15.480 -8.915 1.00 0.00 C ATOM 639 C GLY A 44 -1.344 -15.512 -9.413 1.00 0.00 C ATOM 640 O GLY A 44 -1.874 -16.578 -9.725 1.00 0.00 O ATOM 0 H GLY A 44 0.370 -13.999 -10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.550 -16.467 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.117 -15.243 -7.851 1.00 0.00 H new ATOM 644 N HIS A 45 -1.942 -14.331 -9.474 1.00 0.00 N ATOM 645 CA HIS A 45 -3.317 -14.210 -9.931 1.00 0.00 C ATOM 646 C HIS A 45 -3.392 -14.534 -11.424 1.00 0.00 C ATOM 647 O HIS A 45 -2.369 -14.774 -12.063 1.00 0.00 O ATOM 648 CB HIS A 45 -3.881 -12.829 -9.593 1.00 0.00 C ATOM 649 CG HIS A 45 -4.690 -12.791 -8.318 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.001 -12.352 -8.276 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.359 -13.141 -7.043 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.431 -12.439 -7.026 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.412 -12.927 -6.262 1.00 0.00 N ATOM 0 H HIS A 45 -1.500 -13.449 -9.215 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.944 -14.932 -9.408 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.056 -12.122 -9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.507 -12.492 -10.419 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.544 -12.018 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.403 -13.527 -6.722 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.416 -12.171 -6.674 1.00 0.00 H new ATOM 661 N SER A 46 -4.614 -14.529 -11.937 1.00 0.00 N ATOM 662 CA SER A 46 -4.835 -14.818 -13.343 1.00 0.00 C ATOM 663 C SER A 46 -4.763 -13.527 -14.161 1.00 0.00 C ATOM 664 O SER A 46 -5.781 -12.880 -14.400 1.00 0.00 O ATOM 665 CB SER A 46 -6.187 -15.505 -13.557 1.00 0.00 C ATOM 666 OG SER A 46 -6.045 -16.911 -13.746 1.00 0.00 O ATOM 0 H SER A 46 -5.460 -14.329 -11.404 1.00 0.00 H new ATOM 0 HA SER A 46 -4.053 -15.498 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.830 -15.317 -12.697 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.682 -15.070 -14.425 1.00 0.00 H new ATOM 0 HG SER A 46 -6.928 -17.314 -13.878 1.00 0.00 H new ATOM 672 N GLY A 47 -3.547 -13.192 -14.569 1.00 0.00 N ATOM 673 CA GLY A 47 -3.327 -11.990 -15.355 1.00 0.00 C ATOM 674 C GLY A 47 -4.112 -10.809 -14.783 1.00 0.00 C ATOM 675 O GLY A 47 -5.122 -10.396 -15.352 1.00 0.00 O ATOM 0 H GLY A 47 -2.705 -13.732 -14.370 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.264 -11.751 -15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.629 -12.166 -16.387 1.00 0.00 H new ATOM 679 N GLU A 48 -3.620 -10.298 -13.664 1.00 0.00 N ATOM 680 CA GLU A 48 -4.264 -9.172 -13.008 1.00 0.00 C ATOM 681 C GLU A 48 -3.215 -8.163 -12.536 1.00 0.00 C ATOM 682 O GLU A 48 -2.147 -8.547 -12.064 1.00 0.00 O ATOM 683 CB GLU A 48 -5.136 -9.642 -11.843 1.00 0.00 C ATOM 684 CG GLU A 48 -6.041 -8.513 -11.345 1.00 0.00 C ATOM 685 CD GLU A 48 -6.910 -7.966 -12.479 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.981 -8.567 -12.713 1.00 0.00 O ATOM 687 OE2 GLU A 48 -6.484 -6.959 -13.085 1.00 0.00 O ATOM 0 H GLU A 48 -2.783 -10.643 -13.195 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.915 -8.679 -13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.745 -10.489 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.502 -9.991 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.677 -8.880 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.432 -7.710 -10.929 1.00 0.00 H new ATOM 694 N ILE A 49 -3.557 -6.891 -12.680 1.00 0.00 N ATOM 695 CA ILE A 49 -2.659 -5.824 -12.273 1.00 0.00 C ATOM 696 C ILE A 49 -3.080 -5.306 -10.896 1.00 0.00 C ATOM 697 O ILE A 49 -4.268 -5.251 -10.586 1.00 0.00 O ATOM 698 CB ILE A 49 -2.599 -4.736 -13.347 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.003 -4.353 -13.820 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.700 -5.162 -14.509 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.999 -2.984 -14.501 1.00 0.00 C ATOM 0 H ILE A 49 -4.444 -6.575 -13.073 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.641 -6.200 -12.175 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.154 -3.845 -12.905 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.375 -5.107 -14.514 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.685 -4.338 -12.970 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.675 -4.371 -15.258 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.691 -5.345 -14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.093 -6.074 -14.958 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.009 -2.737 -14.827 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.650 -2.228 -13.797 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.335 -3.009 -15.365 1.00 0.00 H new ATOM 713 N GLY A 50 -2.081 -4.938 -10.107 1.00 0.00 N ATOM 714 CA GLY A 50 -2.332 -4.425 -8.771 1.00 0.00 C ATOM 715 C GLY A 50 -1.259 -3.416 -8.360 1.00 0.00 C ATOM 716 O GLY A 50 -0.798 -2.626 -9.183 1.00 0.00 O ATOM 0 H GLY A 50 -1.096 -4.985 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.313 -3.951 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.352 -5.250 -8.059 1.00 0.00 H new ATOM 720 N ALA A 51 -0.893 -3.473 -7.088 1.00 0.00 N ATOM 721 CA ALA A 51 0.116 -2.571 -6.558 1.00 0.00 C ATOM 722 C ALA A 51 1.047 -3.348 -5.626 1.00 0.00 C ATOM 723 O ALA A 51 0.605 -4.243 -4.905 1.00 0.00 O ATOM 724 CB ALA A 51 -0.567 -1.396 -5.855 1.00 0.00 C ATOM 0 H ALA A 51 -1.277 -4.130 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 51 0.724 -2.159 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.190 -0.720 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.194 -0.860 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.184 -1.770 -5.038 1.00 0.00 H new ATOM 730 N TYR A 52 2.318 -2.978 -5.668 1.00 0.00 N ATOM 731 CA TYR A 52 3.316 -3.629 -4.835 1.00 0.00 C ATOM 732 C TYR A 52 4.355 -2.623 -4.336 1.00 0.00 C ATOM 733 O TYR A 52 4.665 -1.653 -5.026 1.00 0.00 O ATOM 734 CB TYR A 52 4.007 -4.657 -5.732 1.00 0.00 C ATOM 735 CG TYR A 52 5.004 -4.050 -6.721 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.553 -3.510 -7.910 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.352 -4.041 -6.427 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.492 -2.938 -8.841 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.289 -3.469 -7.357 1.00 0.00 C ATOM 740 CZ TYR A 52 6.813 -2.946 -8.520 1.00 0.00 C ATOM 741 OH TYR A 52 7.698 -2.406 -9.400 1.00 0.00 O ATOM 0 H TYR A 52 2.680 -2.235 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 52 2.850 -4.083 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.528 -5.380 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.248 -5.207 -6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.498 -3.517 -8.141 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.704 -4.464 -5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.154 -2.512 -9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.346 -3.455 -7.137 1.00 0.00 H new ATOM 0 HH TYR A 52 8.606 -2.480 -9.038 1.00 0.00 H new ATOM 751 N ILE A 53 4.864 -2.889 -3.143 1.00 0.00 N ATOM 752 CA ILE A 53 5.863 -2.019 -2.544 1.00 0.00 C ATOM 753 C ILE A 53 7.152 -2.088 -3.365 1.00 0.00 C ATOM 754 O ILE A 53 7.850 -3.101 -3.347 1.00 0.00 O ATOM 755 CB ILE A 53 6.056 -2.363 -1.066 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.768 -2.127 -0.275 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.240 -1.595 -0.474 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.512 -3.268 0.711 1.00 0.00 C ATOM 0 H ILE A 53 4.604 -3.695 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 53 5.527 -0.982 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 53 6.290 -3.425 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.837 -1.183 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.926 -2.040 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.355 -1.858 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.150 -1.856 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.060 -0.524 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.590 -3.075 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.419 -4.207 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.344 -3.337 1.412 1.00 0.00 H new ATOM 770 N ALA A 54 7.429 -0.998 -4.066 1.00 0.00 N ATOM 771 CA ALA A 54 8.621 -0.923 -4.892 1.00 0.00 C ATOM 772 C ALA A 54 9.842 -0.699 -3.998 1.00 0.00 C ATOM 773 O ALA A 54 10.798 -1.473 -4.041 1.00 0.00 O ATOM 774 CB ALA A 54 8.451 0.185 -5.934 1.00 0.00 C ATOM 0 H ALA A 54 6.848 -0.160 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 54 8.774 -1.858 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.346 0.242 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.588 -0.035 -6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.299 1.139 -5.429 1.00 0.00 H new ATOM 780 N LYS A 55 9.771 0.363 -3.208 1.00 0.00 N ATOM 781 CA LYS A 55 10.859 0.698 -2.306 1.00 0.00 C ATOM 782 C LYS A 55 10.283 1.109 -0.949 1.00 0.00 C ATOM 783 O LYS A 55 9.193 1.678 -0.881 1.00 0.00 O ATOM 784 CB LYS A 55 11.771 1.755 -2.933 1.00 0.00 C ATOM 785 CG LYS A 55 12.612 2.457 -1.866 1.00 0.00 C ATOM 786 CD LYS A 55 13.760 1.560 -1.396 1.00 0.00 C ATOM 787 CE LYS A 55 14.395 2.108 -0.116 1.00 0.00 C ATOM 788 NZ LYS A 55 15.400 3.146 -0.439 1.00 0.00 N ATOM 0 H LYS A 55 8.977 1.002 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 55 11.492 -0.173 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.426 1.286 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.168 2.489 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.013 3.387 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.982 2.722 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.389 0.551 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.515 1.489 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.623 2.529 0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.867 1.297 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.821 3.507 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.145 2.734 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.941 3.927 -0.949 1.00 0.00 H new ATOM 802 N ILE A 56 11.038 0.807 0.096 1.00 0.00 N ATOM 803 CA ILE A 56 10.616 1.138 1.445 1.00 0.00 C ATOM 804 C ILE A 56 11.592 2.151 2.046 1.00 0.00 C ATOM 805 O ILE A 56 12.719 1.802 2.394 1.00 0.00 O ATOM 806 CB ILE A 56 10.453 -0.131 2.283 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.197 -0.902 1.874 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.464 0.194 3.779 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.687 -1.772 3.025 1.00 0.00 C ATOM 0 H ILE A 56 11.941 0.336 0.035 1.00 0.00 H new ATOM 0 HA ILE A 56 9.634 1.610 1.431 1.00 0.00 H new ATOM 0 HB ILE A 56 11.307 -0.780 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.419 -0.202 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.416 -1.529 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.346 -0.726 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.410 0.667 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.643 0.873 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.793 -2.309 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.458 -2.488 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.445 -1.140 3.880 1.00 0.00 H new ATOM 821 N LEU A 57 11.124 3.387 2.150 1.00 0.00 N ATOM 822 CA LEU A 57 11.942 4.453 2.704 1.00 0.00 C ATOM 823 C LEU A 57 12.735 3.915 3.896 1.00 0.00 C ATOM 824 O LEU A 57 12.244 3.069 4.641 1.00 0.00 O ATOM 825 CB LEU A 57 11.079 5.672 3.037 1.00 0.00 C ATOM 826 CG LEU A 57 10.815 6.643 1.884 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.054 7.488 1.585 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.316 5.898 0.644 1.00 0.00 C ATOM 0 H LEU A 57 10.189 3.674 1.860 1.00 0.00 H new ATOM 0 HA LEU A 57 12.669 4.798 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.120 5.320 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.559 6.222 3.846 1.00 0.00 H new ATOM 0 HG LEU A 57 10.024 7.328 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.840 8.169 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.325 8.063 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.882 6.835 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.136 6.611 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.068 5.175 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.389 5.377 0.881 1.00 0.00 H new ATOM 840 N PRO A 58 13.979 4.443 4.044 1.00 0.00 N ATOM 841 CA PRO A 58 14.845 4.025 5.133 1.00 0.00 C ATOM 842 C PRO A 58 14.390 4.637 6.460 1.00 0.00 C ATOM 843 O PRO A 58 13.869 5.751 6.488 1.00 0.00 O ATOM 844 CB PRO A 58 16.238 4.469 4.721 1.00 0.00 C ATOM 845 CG PRO A 58 16.039 5.523 3.644 1.00 0.00 C ATOM 846 CD PRO A 58 14.594 5.447 3.180 1.00 0.00 C ATOM 0 HA PRO A 58 14.819 2.948 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.785 4.878 5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.820 3.629 4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.263 6.516 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.718 5.349 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.096 6.412 3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.530 5.159 2.131 1.00 0.00 H new ATOM 854 N GLY A 59 14.604 3.882 7.527 1.00 0.00 N ATOM 855 CA GLY A 59 14.223 4.336 8.854 1.00 0.00 C ATOM 856 C GLY A 59 12.904 5.108 8.811 1.00 0.00 C ATOM 857 O GLY A 59 12.691 6.026 9.601 1.00 0.00 O ATOM 0 H GLY A 59 15.036 2.959 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.126 3.480 9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.008 4.972 9.264 1.00 0.00 H new ATOM 861 N GLY A 60 12.050 4.707 7.880 1.00 0.00 N ATOM 862 CA GLY A 60 10.756 5.349 7.723 1.00 0.00 C ATOM 863 C GLY A 60 9.716 4.722 8.654 1.00 0.00 C ATOM 864 O GLY A 60 10.057 3.915 9.517 1.00 0.00 O ATOM 0 H GLY A 60 12.229 3.945 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.846 6.414 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.425 5.259 6.689 1.00 0.00 H new ATOM 868 N SER A 61 8.469 5.118 8.447 1.00 0.00 N ATOM 869 CA SER A 61 7.377 4.604 9.257 1.00 0.00 C ATOM 870 C SER A 61 6.985 3.204 8.780 1.00 0.00 C ATOM 871 O SER A 61 6.728 2.317 9.592 1.00 0.00 O ATOM 872 CB SER A 61 6.168 5.540 9.208 1.00 0.00 C ATOM 873 OG SER A 61 6.368 6.713 9.992 1.00 0.00 O ATOM 0 H SER A 61 8.190 5.788 7.731 1.00 0.00 H new ATOM 0 HA SER A 61 7.716 4.546 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.971 5.824 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.285 5.011 9.566 1.00 0.00 H new ATOM 0 HG SER A 61 5.524 7.206 10.064 1.00 0.00 H new ATOM 879 N ALA A 62 6.953 3.050 7.464 1.00 0.00 N ATOM 880 CA ALA A 62 6.597 1.773 6.870 1.00 0.00 C ATOM 881 C ALA A 62 7.688 0.747 7.184 1.00 0.00 C ATOM 882 O ALA A 62 7.391 -0.418 7.446 1.00 0.00 O ATOM 883 CB ALA A 62 6.383 1.952 5.365 1.00 0.00 C ATOM 0 H ALA A 62 7.168 3.788 6.793 1.00 0.00 H new ATOM 0 HA ALA A 62 5.663 1.401 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.116 0.994 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.579 2.668 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.301 2.321 4.908 1.00 0.00 H new ATOM 889 N GLU A 63 8.926 1.216 7.148 1.00 0.00 N ATOM 890 CA GLU A 63 10.062 0.354 7.427 1.00 0.00 C ATOM 891 C GLU A 63 10.144 0.051 8.924 1.00 0.00 C ATOM 892 O GLU A 63 10.636 -1.004 9.321 1.00 0.00 O ATOM 893 CB GLU A 63 11.363 0.982 6.922 1.00 0.00 C ATOM 894 CG GLU A 63 12.498 -0.045 6.910 1.00 0.00 C ATOM 895 CD GLU A 63 12.792 -0.521 5.486 1.00 0.00 C ATOM 896 OE1 GLU A 63 13.465 0.242 4.761 1.00 0.00 O ATOM 897 OE2 GLU A 63 12.339 -1.638 5.156 1.00 0.00 O ATOM 0 H GLU A 63 9.168 2.183 6.930 1.00 0.00 H new ATOM 0 HA GLU A 63 9.920 -0.586 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.214 1.377 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.636 1.824 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.396 0.395 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.229 -0.897 7.534 1.00 0.00 H new ATOM 904 N GLN A 64 9.655 0.995 9.714 1.00 0.00 N ATOM 905 CA GLN A 64 9.667 0.843 11.159 1.00 0.00 C ATOM 906 C GLN A 64 8.930 -0.435 11.564 1.00 0.00 C ATOM 907 O GLN A 64 9.465 -1.255 12.309 1.00 0.00 O ATOM 908 CB GLN A 64 9.059 2.068 11.845 1.00 0.00 C ATOM 909 CG GLN A 64 10.147 2.944 12.470 1.00 0.00 C ATOM 910 CD GLN A 64 9.836 3.240 13.938 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.705 3.494 14.321 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.898 3.195 14.736 1.00 0.00 N ATOM 0 H GLN A 64 9.248 1.869 9.381 1.00 0.00 H new ATOM 0 HA GLN A 64 10.703 0.761 11.488 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.490 2.650 11.120 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.358 1.747 12.616 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.112 2.442 12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.229 3.879 11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.817 2.976 14.351 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.794 3.379 15.734 1.00 0.00 H new ATOM 921 N THR A 65 7.713 -0.563 11.056 1.00 0.00 N ATOM 922 CA THR A 65 6.896 -1.728 11.356 1.00 0.00 C ATOM 923 C THR A 65 7.755 -2.995 11.360 1.00 0.00 C ATOM 924 O THR A 65 7.749 -3.750 12.330 1.00 0.00 O ATOM 925 CB THR A 65 5.750 -1.775 10.344 1.00 0.00 C ATOM 926 OG1 THR A 65 6.404 -1.898 9.084 1.00 0.00 O ATOM 927 CG2 THR A 65 5.000 -0.444 10.246 1.00 0.00 C ATOM 0 H THR A 65 7.273 0.120 10.439 1.00 0.00 H new ATOM 0 HA THR A 65 6.465 -1.662 12.355 1.00 0.00 H new ATOM 0 HB THR A 65 5.053 -2.565 10.622 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.608 -1.006 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.197 -0.532 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.578 -0.192 11.219 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.690 0.340 9.935 1.00 0.00 H new ATOM 935 N GLY A 66 8.473 -3.188 10.263 1.00 0.00 N ATOM 936 CA GLY A 66 9.335 -4.349 10.129 1.00 0.00 C ATOM 937 C GLY A 66 8.637 -5.461 9.342 1.00 0.00 C ATOM 938 O GLY A 66 9.274 -6.169 8.563 1.00 0.00 O ATOM 0 H GLY A 66 8.475 -2.560 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.258 -4.065 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.613 -4.717 11.117 1.00 0.00 H new ATOM 942 N LYS A 67 7.338 -5.581 9.574 1.00 0.00 N ATOM 943 CA LYS A 67 6.547 -6.594 8.897 1.00 0.00 C ATOM 944 C LYS A 67 6.453 -6.252 7.409 1.00 0.00 C ATOM 945 O LYS A 67 6.259 -7.136 6.576 1.00 0.00 O ATOM 946 CB LYS A 67 5.187 -6.755 9.579 1.00 0.00 C ATOM 947 CG LYS A 67 5.183 -7.963 10.517 1.00 0.00 C ATOM 948 CD LYS A 67 5.097 -9.271 9.728 1.00 0.00 C ATOM 949 CE LYS A 67 5.099 -10.480 10.667 1.00 0.00 C ATOM 950 NZ LYS A 67 4.475 -11.649 10.008 1.00 0.00 N ATOM 0 H LYS A 67 6.814 -4.993 10.222 1.00 0.00 H new ATOM 0 HA LYS A 67 7.031 -7.568 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.950 -5.852 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.410 -6.874 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.088 -7.959 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.339 -7.892 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.189 -9.277 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.939 -9.340 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.122 -10.721 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.557 -10.239 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.485 -12.460 10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.493 -11.421 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.009 -11.889 9.148 1.00 0.00 H new ATOM 964 N LEU A 68 6.594 -4.967 7.120 1.00 0.00 N ATOM 965 CA LEU A 68 6.527 -4.497 5.746 1.00 0.00 C ATOM 966 C LEU A 68 7.892 -4.689 5.080 1.00 0.00 C ATOM 967 O LEU A 68 8.928 -4.458 5.701 1.00 0.00 O ATOM 968 CB LEU A 68 6.016 -3.056 5.698 1.00 0.00 C ATOM 969 CG LEU A 68 4.511 -2.871 5.903 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.731 -3.303 4.659 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.036 -3.601 7.161 1.00 0.00 C ATOM 0 H LEU A 68 6.754 -4.236 7.813 1.00 0.00 H new ATOM 0 HA LEU A 68 5.808 -5.085 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.540 -2.480 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.287 -2.627 4.733 1.00 0.00 H new ATOM 0 HG LEU A 68 4.314 -1.810 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.664 -3.161 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.044 -2.701 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.929 -4.355 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.963 -3.454 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.247 -4.666 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.559 -3.204 8.031 1.00 0.00 H new ATOM 983 N MET A 69 7.847 -5.109 3.824 1.00 0.00 N ATOM 984 CA MET A 69 9.066 -5.333 3.067 1.00 0.00 C ATOM 985 C MET A 69 8.809 -5.209 1.563 1.00 0.00 C ATOM 986 O MET A 69 7.674 -5.357 1.110 1.00 0.00 O ATOM 987 CB MET A 69 9.610 -6.729 3.378 1.00 0.00 C ATOM 988 CG MET A 69 10.560 -6.692 4.577 1.00 0.00 C ATOM 989 SD MET A 69 11.945 -7.781 4.292 1.00 0.00 S ATOM 990 CE MET A 69 11.642 -9.005 5.556 1.00 0.00 C ATOM 0 H MET A 69 6.986 -5.300 3.312 1.00 0.00 H new ATOM 0 HA MET A 69 9.795 -4.576 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.783 -7.408 3.586 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.134 -7.122 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.915 -5.674 4.739 1.00 0.00 H new ATOM 0 HG3 MET A 69 10.030 -6.993 5.481 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.421 -9.767 5.519 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.649 -8.526 6.535 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.671 -9.470 5.387 1.00 0.00 H new ATOM 1000 N GLU A 70 9.880 -4.940 0.832 1.00 0.00 N ATOM 1001 CA GLU A 70 9.784 -4.794 -0.611 1.00 0.00 C ATOM 1002 C GLU A 70 9.358 -6.116 -1.250 1.00 0.00 C ATOM 1003 O GLU A 70 9.721 -7.189 -0.769 1.00 0.00 O ATOM 1004 CB GLU A 70 11.106 -4.300 -1.200 1.00 0.00 C ATOM 1005 CG GLU A 70 11.774 -3.282 -0.274 1.00 0.00 C ATOM 1006 CD GLU A 70 12.999 -3.888 0.414 1.00 0.00 C ATOM 1007 OE1 GLU A 70 12.811 -4.909 1.110 1.00 0.00 O ATOM 1008 OE2 GLU A 70 14.094 -3.315 0.230 1.00 0.00 O ATOM 0 H GLU A 70 10.819 -4.819 1.211 1.00 0.00 H new ATOM 0 HA GLU A 70 9.024 -4.045 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.775 -5.145 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.927 -3.847 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.072 -2.404 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.060 -2.945 0.477 1.00 0.00 H new ATOM 1015 N GLY A 71 8.593 -5.998 -2.326 1.00 0.00 N ATOM 1016 CA GLY A 71 8.114 -7.171 -3.037 1.00 0.00 C ATOM 1017 C GLY A 71 6.768 -7.637 -2.480 1.00 0.00 C ATOM 1018 O GLY A 71 6.260 -8.687 -2.872 1.00 0.00 O ATOM 0 H GLY A 71 8.293 -5.107 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.013 -6.942 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.845 -7.975 -2.953 1.00 0.00 H new ATOM 1022 N MET A 72 6.228 -6.835 -1.574 1.00 0.00 N ATOM 1023 CA MET A 72 4.950 -7.152 -0.959 1.00 0.00 C ATOM 1024 C MET A 72 3.791 -6.586 -1.782 1.00 0.00 C ATOM 1025 O MET A 72 3.736 -5.384 -2.038 1.00 0.00 O ATOM 1026 CB MET A 72 4.905 -6.571 0.455 1.00 0.00 C ATOM 1027 CG MET A 72 5.494 -7.553 1.470 1.00 0.00 C ATOM 1028 SD MET A 72 4.233 -8.686 2.025 1.00 0.00 S ATOM 1029 CE MET A 72 4.611 -8.743 3.769 1.00 0.00 C ATOM 0 H MET A 72 6.652 -5.966 -1.251 1.00 0.00 H new ATOM 0 HA MET A 72 4.846 -8.236 -0.918 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.461 -5.634 0.485 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.875 -6.339 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.318 -8.106 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.904 -7.008 2.320 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.704 -8.964 4.331 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.352 -9.520 3.955 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.009 -7.779 4.087 1.00 0.00 H new ATOM 1039 N GLN A 73 2.892 -7.478 -2.172 1.00 0.00 N ATOM 1040 CA GLN A 73 1.738 -7.083 -2.960 1.00 0.00 C ATOM 1041 C GLN A 73 0.735 -6.325 -2.087 1.00 0.00 C ATOM 1042 O GLN A 73 0.178 -6.885 -1.145 1.00 0.00 O ATOM 1043 CB GLN A 73 1.081 -8.298 -3.618 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.122 -7.878 -4.466 1.00 0.00 C ATOM 1045 CD GLN A 73 -1.168 -8.994 -4.521 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.861 -10.173 -4.453 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.418 -8.557 -4.648 1.00 0.00 N ATOM 0 H GLN A 73 2.940 -8.474 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 73 2.076 -6.418 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.809 -8.815 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.761 -9.003 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.569 -6.976 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.208 -7.633 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.605 -7.556 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.189 -9.223 -4.694 1.00 0.00 H new ATOM 1056 N VAL A 74 0.536 -5.061 -2.433 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.390 -4.220 -1.693 1.00 0.00 C ATOM 1058 C VAL A 74 -1.825 -4.620 -2.041 1.00 0.00 C ATOM 1059 O VAL A 74 -2.288 -4.377 -3.154 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.095 -2.745 -1.974 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.072 -1.838 -1.224 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.354 -2.398 -1.625 1.00 0.00 C ATOM 0 H VAL A 74 1.000 -4.599 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.264 -4.364 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.232 -2.574 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.840 -0.795 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.091 -2.057 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.982 -2.014 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.536 -1.344 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.530 -2.594 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.029 -3.009 -2.224 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.488 -5.227 -1.067 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.861 -5.663 -1.256 1.00 0.00 C ATOM 1074 C LEU A 75 -4.795 -4.455 -1.151 1.00 0.00 C ATOM 1075 O LEU A 75 -5.531 -4.151 -2.090 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.204 -6.790 -0.281 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.356 -8.058 -0.397 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.664 -9.030 0.744 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.532 -8.712 -1.770 1.00 0.00 C ATOM 0 H LEU A 75 -2.100 -5.427 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.993 -6.083 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.111 -6.406 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.250 -7.062 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.307 -7.777 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.048 -9.923 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.447 -8.551 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.717 -9.310 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.918 -9.611 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.579 -8.978 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.224 -8.013 -2.548 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.733 -3.797 -0.003 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.564 -2.629 0.236 1.00 0.00 C ATOM 1093 C GLU A 76 -4.764 -1.549 0.967 1.00 0.00 C ATOM 1094 O GLU A 76 -3.823 -1.856 1.697 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.823 -3.003 1.020 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.876 -3.628 0.101 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.408 -4.937 0.690 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.561 -5.774 1.068 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.649 -5.069 0.748 1.00 0.00 O ATOM 0 H GLU A 76 -4.120 -4.050 0.772 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.881 -2.230 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.566 -3.704 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.235 -2.115 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.699 -2.929 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.442 -3.816 -0.881 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.166 -0.306 0.743 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.498 0.820 1.372 1.00 0.00 C ATOM 1108 C TRP A 77 -5.570 1.724 1.984 1.00 0.00 C ATOM 1109 O TRP A 77 -6.405 2.275 1.269 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.599 1.551 0.373 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.908 2.790 0.948 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.284 4.070 0.837 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.697 2.811 1.732 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.408 4.913 1.489 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.412 4.123 2.052 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.869 1.758 2.158 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.298 4.504 2.810 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.239 2.155 2.915 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.540 3.471 3.245 1.00 0.00 C ATOM 0 H TRP A 77 -5.945 -0.055 0.135 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.834 0.480 2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.839 0.859 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.197 1.848 -0.489 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.163 4.401 0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.478 5.929 1.547 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.072 0.724 1.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.097 5.538 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.908 1.384 3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.417 3.696 3.834 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.513 1.848 3.302 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.468 2.675 4.018 1.00 0.00 C ATOM 1132 C ASN A 78 -7.887 2.290 3.595 1.00 0.00 C ATOM 1133 O ASN A 78 -8.765 3.146 3.506 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.264 4.156 3.697 1.00 0.00 C ATOM 1135 CG ASN A 78 -4.889 4.636 4.165 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -4.757 5.590 4.913 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -3.875 3.921 3.685 1.00 0.00 N ATOM 0 H ASN A 78 -4.820 1.389 3.893 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.319 2.514 5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.362 4.316 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.043 4.747 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.917 4.160 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.056 3.134 3.062 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.068 1.001 3.346 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.364 0.493 2.935 1.00 0.00 C ATOM 1146 C GLY A 79 -9.470 0.427 1.411 1.00 0.00 C ATOM 1147 O GLY A 79 -9.935 -0.569 0.859 1.00 0.00 O ATOM 0 H GLY A 79 -7.337 0.293 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.520 -0.500 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.152 1.134 3.330 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.031 1.503 0.773 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.069 1.581 -0.678 1.00 0.00 C ATOM 1153 C ILE A 80 -8.139 0.518 -1.266 1.00 0.00 C ATOM 1154 O ILE A 80 -6.936 0.531 -1.011 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.753 3.002 -1.147 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.656 4.023 -0.450 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.837 3.109 -2.670 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -8.897 4.761 0.655 1.00 0.00 C ATOM 0 H ILE A 80 -8.647 2.328 1.234 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.073 1.365 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.726 3.234 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.031 4.740 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.523 3.517 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.608 4.130 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.120 2.425 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.843 2.849 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.561 5.480 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.544 4.043 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.045 5.286 0.223 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.748 -0.401 -2.064 1.00 0.00 N ATOM 1171 CA PRO A 81 -7.988 -1.468 -2.691 1.00 0.00 C ATOM 1172 C PRO A 81 -7.167 -0.938 -3.868 1.00 0.00 C ATOM 1173 O PRO A 81 -7.504 0.090 -4.451 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.026 -2.499 -3.106 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.358 -1.767 -3.117 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.171 -0.446 -2.388 1.00 0.00 C ATOM 0 HA PRO A 81 -7.252 -1.911 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.798 -2.909 -4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.046 -3.336 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.690 -1.594 -4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.127 -2.366 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.461 0.397 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.784 -0.400 -1.488 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.106 -1.666 -4.183 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.234 -1.282 -5.280 1.00 0.00 C ATOM 1186 C LEU A 82 -5.190 -2.412 -6.310 1.00 0.00 C ATOM 1187 O LEU A 82 -4.136 -2.708 -6.870 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.855 -0.878 -4.753 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.848 0.093 -3.571 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.419 0.381 -3.107 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.610 1.376 -3.909 1.00 0.00 C ATOM 0 H LEU A 82 -5.830 -2.520 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.627 -0.401 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.321 -1.782 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.293 -0.428 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.369 -0.380 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.442 1.074 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.942 -0.549 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.853 0.824 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.589 2.048 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.141 1.863 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.644 1.132 -4.153 1.00 0.00 H new ATOM 1203 N THR A 83 -6.350 -3.014 -6.531 1.00 0.00 N ATOM 1204 CA THR A 83 -6.459 -4.104 -7.484 1.00 0.00 C ATOM 1205 C THR A 83 -7.144 -3.628 -8.766 1.00 0.00 C ATOM 1206 O THR A 83 -8.223 -3.040 -8.716 1.00 0.00 O ATOM 1207 CB THR A 83 -7.189 -5.261 -6.799 1.00 0.00 C ATOM 1208 OG1 THR A 83 -6.539 -5.383 -5.536 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.931 -6.605 -7.483 1.00 0.00 C ATOM 0 H THR A 83 -7.223 -2.766 -6.065 1.00 0.00 H new ATOM 0 HA THR A 83 -5.475 -4.458 -7.792 1.00 0.00 H new ATOM 0 HB THR A 83 -8.260 -5.059 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.951 -6.110 -5.025 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.472 -7.391 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.273 -6.559 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.863 -6.824 -7.463 1.00 0.00 H new ATOM 1217 N SER A 84 -6.489 -3.899 -9.886 1.00 0.00 N ATOM 1218 CA SER A 84 -7.022 -3.504 -11.179 1.00 0.00 C ATOM 1219 C SER A 84 -7.023 -1.979 -11.301 1.00 0.00 C ATOM 1220 O SER A 84 -8.024 -1.386 -11.701 1.00 0.00 O ATOM 1221 CB SER A 84 -8.434 -4.054 -11.383 1.00 0.00 C ATOM 1222 OG SER A 84 -8.800 -4.088 -12.760 1.00 0.00 O ATOM 0 H SER A 84 -5.594 -4.387 -9.925 1.00 0.00 H new ATOM 0 HA SER A 84 -6.382 -3.923 -11.956 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.495 -5.060 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.146 -3.438 -10.834 1.00 0.00 H new ATOM 0 HG SER A 84 -9.708 -4.447 -12.848 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.892 -1.387 -10.948 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.749 0.058 -11.012 1.00 0.00 C ATOM 1230 C LYS A 85 -4.483 0.406 -11.795 1.00 0.00 C ATOM 1231 O LYS A 85 -3.754 -0.483 -12.233 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.792 0.664 -9.608 1.00 0.00 C ATOM 1233 CG LYS A 85 -6.987 0.129 -8.815 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.192 1.061 -8.947 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.981 1.125 -7.638 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.353 0.604 -7.833 1.00 0.00 N ATOM 0 H LYS A 85 -5.064 -1.882 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.588 0.501 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.867 0.432 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.855 1.750 -9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.251 -0.866 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.715 0.027 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.855 2.060 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.841 0.711 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.471 0.543 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.024 2.154 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.875 0.655 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.843 1.176 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.307 -0.385 -8.151 1.00 0.00 H new ATOM 1250 N THR A 86 -4.259 1.703 -11.948 1.00 0.00 N ATOM 1251 CA THR A 86 -3.091 2.181 -12.670 1.00 0.00 C ATOM 1252 C THR A 86 -2.131 2.898 -11.718 1.00 0.00 C ATOM 1253 O THR A 86 -2.554 3.448 -10.703 1.00 0.00 O ATOM 1254 CB THR A 86 -3.578 3.063 -13.822 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.356 4.072 -13.182 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.574 2.343 -14.731 1.00 0.00 C ATOM 0 H THR A 86 -4.866 2.438 -11.585 1.00 0.00 H new ATOM 0 HA THR A 86 -2.520 1.354 -13.093 1.00 0.00 H new ATOM 0 HB THR A 86 -2.723 3.393 -14.412 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.220 4.156 -13.636 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.887 3.014 -15.531 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.101 1.460 -15.162 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.445 2.041 -14.149 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.857 2.866 -12.081 1.00 0.00 N ATOM 1265 CA TYR A 87 0.166 3.507 -11.273 1.00 0.00 C ATOM 1266 C TYR A 87 -0.344 4.822 -10.681 1.00 0.00 C ATOM 1267 O TYR A 87 -0.346 5.000 -9.464 1.00 0.00 O ATOM 1268 CB TYR A 87 1.328 3.806 -12.222 1.00 0.00 C ATOM 1269 CG TYR A 87 2.602 4.279 -11.517 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.605 5.477 -10.831 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.745 3.509 -11.568 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.804 5.921 -10.169 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.944 3.954 -10.906 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.914 5.140 -10.238 1.00 0.00 C ATOM 1275 OH TYR A 87 6.046 5.559 -9.612 1.00 0.00 O ATOM 0 H TYR A 87 -0.510 2.407 -12.923 1.00 0.00 H new ATOM 0 HA TYR A 87 0.458 2.862 -10.444 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.555 2.908 -12.796 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.015 4.569 -12.934 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.710 6.080 -10.791 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.741 2.572 -12.105 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.821 6.856 -9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.846 3.361 -10.939 1.00 0.00 H new ATOM 0 HH TYR A 87 6.758 4.899 -9.746 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.766 5.710 -11.569 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.278 7.003 -11.151 1.00 0.00 C ATOM 1287 C GLU A 88 -2.382 6.824 -10.106 1.00 0.00 C ATOM 1288 O GLU A 88 -2.215 7.210 -8.950 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.783 7.807 -12.349 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.721 8.798 -12.833 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.193 10.241 -12.648 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.896 10.729 -13.560 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.841 10.824 -11.600 1.00 0.00 O ATOM 0 H GLU A 88 -0.764 5.559 -12.578 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.462 7.565 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.049 7.129 -13.160 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.690 8.346 -12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.206 8.641 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.501 8.616 -13.885 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.483 6.237 -10.550 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.614 6.003 -9.670 1.00 0.00 C ATOM 1302 C GLU A 89 -4.126 5.575 -8.283 1.00 0.00 C ATOM 1303 O GLU A 89 -4.300 6.304 -7.308 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.564 4.960 -10.262 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.186 5.464 -11.566 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.027 4.371 -12.230 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.703 3.639 -11.476 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -6.974 4.293 -13.476 1.00 0.00 O ATOM 0 H GLU A 89 -3.616 5.916 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.169 6.935 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.022 4.033 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.351 4.731 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.809 6.335 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.399 5.787 -12.248 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.525 4.395 -8.240 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.011 3.862 -6.990 1.00 0.00 C ATOM 1317 C VAL A 90 -2.290 4.973 -6.224 1.00 0.00 C ATOM 1318 O VAL A 90 -2.656 5.291 -5.095 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.119 2.650 -7.266 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.634 2.017 -5.960 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.843 1.622 -8.138 1.00 0.00 C ATOM 0 H VAL A 90 -3.383 3.793 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.828 3.511 -6.360 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.244 2.997 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.002 1.158 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.061 2.750 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.493 1.692 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.186 0.771 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.745 1.283 -7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.115 2.079 -9.090 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.279 5.534 -6.872 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.503 6.603 -6.266 1.00 0.00 C ATOM 1333 C GLN A 91 -1.433 7.638 -5.630 1.00 0.00 C ATOM 1334 O GLN A 91 -1.157 8.140 -4.542 1.00 0.00 O ATOM 1335 CB GLN A 91 0.425 7.256 -7.292 1.00 0.00 C ATOM 1336 CG GLN A 91 1.815 7.494 -6.700 1.00 0.00 C ATOM 1337 CD GLN A 91 2.325 8.896 -7.044 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.657 9.686 -7.689 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.542 9.158 -6.576 1.00 0.00 N ATOM 0 H GLN A 91 -0.980 5.268 -7.810 1.00 0.00 H new ATOM 0 HA GLN A 91 0.121 6.174 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.505 6.619 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.001 8.204 -7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.779 7.372 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.510 6.746 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.047 8.450 -6.043 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.971 10.067 -6.751 1.00 0.00 H new ATOM 1348 N SER A 92 -2.516 7.927 -6.336 1.00 0.00 N ATOM 1349 CA SER A 92 -3.488 8.894 -5.854 1.00 0.00 C ATOM 1350 C SER A 92 -4.149 8.378 -4.575 1.00 0.00 C ATOM 1351 O SER A 92 -4.454 9.156 -3.673 1.00 0.00 O ATOM 1352 CB SER A 92 -4.548 9.186 -6.919 1.00 0.00 C ATOM 1353 OG SER A 92 -5.256 10.393 -6.650 1.00 0.00 O ATOM 0 H SER A 92 -2.742 7.509 -7.238 1.00 0.00 H new ATOM 0 HA SER A 92 -2.965 9.825 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.070 9.256 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.252 8.355 -6.967 1.00 0.00 H new ATOM 0 HG SER A 92 -5.922 10.545 -7.353 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.350 7.068 -4.537 1.00 0.00 N ATOM 1360 CA ILE A 93 -4.969 6.440 -3.382 1.00 0.00 C ATOM 1361 C ILE A 93 -4.024 6.542 -2.184 1.00 0.00 C ATOM 1362 O ILE A 93 -4.470 6.698 -1.048 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.388 5.006 -3.714 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.603 4.992 -4.645 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.635 4.198 -2.439 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -6.866 3.582 -5.180 1.00 0.00 C ATOM 0 H ILE A 93 -4.095 6.425 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.886 6.962 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.568 4.525 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.481 5.351 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.436 5.676 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.931 3.183 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.721 4.166 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.429 4.668 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.734 3.599 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.995 3.236 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.056 2.906 -4.346 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.735 6.451 -2.477 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.723 6.531 -1.437 1.00 0.00 C ATOM 1380 C ILE A 94 -1.403 8.001 -1.156 1.00 0.00 C ATOM 1381 O ILE A 94 -1.611 8.483 -0.044 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.498 5.697 -1.816 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -0.850 4.662 -2.887 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.129 5.050 -0.579 1.00 0.00 C ATOM 1385 CD1 ILE A 94 0.131 3.488 -2.858 1.00 0.00 C ATOM 0 H ILE A 94 -2.368 6.323 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.097 6.102 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 94 0.250 6.364 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.864 4.297 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.833 5.131 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.998 4.463 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.438 5.827 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.602 4.399 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.142 2.767 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.141 3.853 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.093 3.006 -1.881 1.00 0.00 H new ATOM 1397 N SER A 95 -0.902 8.671 -2.183 1.00 0.00 N ATOM 1398 CA SER A 95 -0.552 10.076 -2.060 1.00 0.00 C ATOM 1399 C SER A 95 -1.589 10.802 -1.202 1.00 0.00 C ATOM 1400 O SER A 95 -2.789 10.574 -1.348 1.00 0.00 O ATOM 1401 CB SER A 95 -0.443 10.739 -3.435 1.00 0.00 C ATOM 1402 OG SER A 95 0.401 11.887 -3.409 1.00 0.00 O ATOM 0 H SER A 95 -0.730 8.267 -3.104 1.00 0.00 H new ATOM 0 HA SER A 95 0.422 10.144 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.054 10.019 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.437 11.027 -3.778 1.00 0.00 H new ATOM 0 HG SER A 95 0.446 12.280 -4.305 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.089 11.660 -0.326 1.00 0.00 N ATOM 1409 CA GLN A 96 -1.958 12.420 0.557 1.00 0.00 C ATOM 1410 C GLN A 96 -2.511 11.520 1.663 1.00 0.00 C ATOM 1411 O GLN A 96 -3.528 10.854 1.474 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.091 13.083 -0.228 1.00 0.00 C ATOM 1413 CG GLN A 96 -3.088 14.600 -0.021 1.00 0.00 C ATOM 1414 CD GLN A 96 -4.264 15.255 -0.747 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.223 14.610 -1.138 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -4.138 16.570 -0.905 1.00 0.00 N ATOM 0 H GLN A 96 -0.093 11.846 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.369 13.211 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.984 12.857 -1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.048 12.671 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.143 14.825 1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.151 15.019 -0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.309 17.049 -0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.871 17.099 -1.378 1.00 0.00 H new ATOM 1425 N GLN A 97 -1.817 11.527 2.791 1.00 0.00 N ATOM 1426 CA GLN A 97 -2.226 10.720 3.927 1.00 0.00 C ATOM 1427 C GLN A 97 -2.158 11.542 5.216 1.00 0.00 C ATOM 1428 O GLN A 97 -1.386 12.494 5.308 1.00 0.00 O ATOM 1429 CB GLN A 97 -1.371 9.456 4.037 1.00 0.00 C ATOM 1430 CG GLN A 97 -1.794 8.611 5.241 1.00 0.00 C ATOM 1431 CD GLN A 97 -3.264 8.200 5.133 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -3.837 8.123 4.059 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -3.841 7.941 6.303 1.00 0.00 N ATOM 0 H GLN A 97 -0.973 12.080 2.943 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.259 10.409 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.466 8.868 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.320 9.730 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.168 7.721 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.637 9.176 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.304 8.025 7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.821 7.659 6.337 1.00 0.00 H new ATOM 1442 N SER A 98 -2.977 11.144 6.178 1.00 0.00 N ATOM 1443 CA SER A 98 -3.019 11.832 7.457 1.00 0.00 C ATOM 1444 C SER A 98 -2.756 10.842 8.593 1.00 0.00 C ATOM 1445 O SER A 98 -3.327 9.752 8.617 1.00 0.00 O ATOM 1446 CB SER A 98 -4.364 12.530 7.663 1.00 0.00 C ATOM 1447 OG SER A 98 -4.389 13.827 7.072 1.00 0.00 O ATOM 0 H SER A 98 -3.617 10.354 6.098 1.00 0.00 H new ATOM 0 HA SER A 98 -2.240 12.594 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.158 11.920 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.569 12.614 8.730 1.00 0.00 H new ATOM 0 HG SER A 98 -5.265 14.239 7.224 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.891 11.255 9.509 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.547 10.417 10.645 1.00 0.00 C ATOM 1455 C GLY A 99 -1.247 8.985 10.198 1.00 0.00 C ATOM 1456 O GLY A 99 -0.652 8.771 9.143 1.00 0.00 O ATOM 0 H GLY A 99 -1.419 12.159 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.679 10.831 11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.369 10.414 11.361 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.674 8.041 11.024 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.459 6.635 10.729 1.00 0.00 C ATOM 1462 C GLU A 100 -2.280 6.219 9.507 1.00 0.00 C ATOM 1463 O GLU A 100 -3.001 7.032 8.932 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.797 5.762 11.939 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.201 6.072 12.464 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.135 6.854 13.777 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.218 6.554 14.571 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.003 7.735 13.958 1.00 0.00 O ATOM 0 H GLU A 100 -2.168 8.223 11.898 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.403 6.489 10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.733 4.710 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.064 5.929 12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.752 6.648 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.749 5.142 12.617 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.141 4.951 9.144 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.861 4.417 8.000 1.00 0.00 C ATOM 1477 C ALA A 101 -2.877 2.889 8.083 1.00 0.00 C ATOM 1478 O ALA A 101 -2.079 2.295 8.806 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.215 4.925 6.709 1.00 0.00 C ATOM 0 H ALA A 101 -1.541 4.279 9.622 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.896 4.758 8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.754 4.525 5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.254 6.014 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.176 4.598 6.669 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.793 2.298 7.331 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.924 0.852 7.308 1.00 0.00 C ATOM 1487 C GLU A 102 -3.453 0.296 5.963 1.00 0.00 C ATOM 1488 O GLU A 102 -3.757 0.861 4.913 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.364 0.426 7.603 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.440 -0.401 8.888 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.045 0.418 10.032 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -5.606 1.577 10.194 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.933 -0.135 10.716 1.00 0.00 O ATOM 0 H GLU A 102 -4.452 2.795 6.732 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.290 0.438 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.996 1.309 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.753 -0.157 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.043 -1.293 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.442 -0.740 9.166 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.718 -0.804 6.037 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.202 -1.441 4.838 1.00 0.00 C ATOM 1502 C ILE A 103 -2.408 -2.954 4.941 1.00 0.00 C ATOM 1503 O ILE A 103 -2.480 -3.501 6.041 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.747 -1.033 4.597 1.00 0.00 C ATOM 1505 CG1 ILE A 103 -0.090 -1.936 3.550 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.039 -1.010 5.909 1.00 0.00 C ATOM 1507 CD1 ILE A 103 -0.708 -1.713 2.169 1.00 0.00 C ATOM 0 H ILE A 103 -2.468 -1.270 6.909 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.752 -1.103 3.960 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.738 -0.019 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.980 -1.734 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.207 -2.980 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.070 -0.717 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.416 -0.294 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.024 -2.002 6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.223 -2.367 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.774 -1.939 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.568 -0.674 1.871 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.495 -3.589 3.781 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.691 -5.027 3.727 1.00 0.00 C ATOM 1521 C CYS A 104 -1.837 -5.585 2.586 1.00 0.00 C ATOM 1522 O CYS A 104 -2.061 -5.260 1.422 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.168 -5.392 3.566 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.407 -7.181 3.865 1.00 0.00 S ATOM 0 H CYS A 104 -2.433 -3.133 2.871 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.375 -5.475 4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.772 -4.814 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.508 -5.134 2.563 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.665 -7.480 3.728 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.877 -6.417 2.962 1.00 0.00 N ATOM 1531 CA VAL A 105 0.012 -7.023 1.984 1.00 0.00 C ATOM 1532 C VAL A 105 -0.183 -8.541 1.997 1.00 0.00 C ATOM 1533 O VAL A 105 -0.951 -9.065 2.804 1.00 0.00 O ATOM 1534 CB VAL A 105 1.458 -6.604 2.260 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.641 -5.098 2.057 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.892 -7.025 3.666 1.00 0.00 C ATOM 0 H VAL A 105 -0.695 -6.686 3.929 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.228 -6.672 0.980 1.00 0.00 H new ATOM 0 HB VAL A 105 2.099 -7.119 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.677 -4.827 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.392 -4.837 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.984 -4.557 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.923 -6.715 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.244 -6.552 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.818 -8.108 3.760 1.00 0.00 H new ATOM 1546 N ARG A 106 0.523 -9.204 1.094 1.00 0.00 N ATOM 1547 CA ARG A 106 0.438 -10.650 0.991 1.00 0.00 C ATOM 1548 C ARG A 106 1.804 -11.284 1.260 1.00 0.00 C ATOM 1549 O ARG A 106 2.744 -11.089 0.491 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.051 -11.076 -0.395 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.553 -12.522 -0.380 1.00 0.00 C ATOM 1552 CD ARG A 106 -1.441 -12.806 -1.593 1.00 0.00 C ATOM 1553 NE ARG A 106 -2.719 -12.074 -1.466 1.00 0.00 N ATOM 1554 CZ ARG A 106 -3.638 -11.993 -2.438 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -3.424 -12.599 -3.614 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -4.770 -11.306 -2.235 1.00 0.00 N ATOM 0 H ARG A 106 1.157 -8.766 0.426 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.278 -10.993 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.852 -10.413 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.760 -10.976 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.296 -13.206 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.113 -12.707 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.929 -12.505 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.632 -13.876 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.913 -11.601 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.562 -13.122 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.123 -12.538 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.933 -10.844 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.469 -11.245 -2.975 1.00 0.00 H new ATOM 1570 N LEU A 107 1.870 -12.030 2.352 1.00 0.00 N ATOM 1571 CA LEU A 107 3.107 -12.695 2.731 1.00 0.00 C ATOM 1572 C LEU A 107 3.604 -13.543 1.560 1.00 0.00 C ATOM 1573 O LEU A 107 4.626 -13.228 0.952 1.00 0.00 O ATOM 1574 CB LEU A 107 2.914 -13.486 4.027 1.00 0.00 C ATOM 1575 CG LEU A 107 2.175 -12.759 5.153 1.00 0.00 C ATOM 1576 CD1 LEU A 107 2.184 -13.590 6.438 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.749 -11.359 5.371 1.00 0.00 C ATOM 0 H LEU A 107 1.088 -12.189 2.987 1.00 0.00 H new ATOM 0 HA LEU A 107 3.884 -11.962 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.369 -14.401 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.895 -13.785 4.397 1.00 0.00 H new ATOM 0 HG LEU A 107 1.134 -12.636 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.653 -13.052 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.692 -14.546 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.213 -13.765 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.206 -10.864 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.803 -11.435 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.648 -10.778 4.455 1.00 0.00 H new ATOM 1589 N ASP A 108 2.860 -14.602 1.280 1.00 0.00 N ATOM 1590 CA ASP A 108 3.213 -15.499 0.193 1.00 0.00 C ATOM 1591 C ASP A 108 3.691 -14.676 -1.006 1.00 0.00 C ATOM 1592 O ASP A 108 4.881 -14.655 -1.315 1.00 0.00 O ATOM 1593 CB ASP A 108 2.006 -16.327 -0.253 1.00 0.00 C ATOM 1594 CG ASP A 108 2.092 -16.879 -1.678 1.00 0.00 C ATOM 1595 OD1 ASP A 108 3.235 -17.036 -2.159 1.00 0.00 O ATOM 1596 OD2 ASP A 108 1.011 -17.132 -2.253 1.00 0.00 O ATOM 0 H ASP A 108 2.013 -14.859 1.787 1.00 0.00 H new ATOM 0 HA ASP A 108 3.997 -16.168 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.882 -17.162 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.111 -15.710 -0.172 1.00 0.00 H new ATOM 1601 N LEU A 109 2.738 -14.019 -1.649 1.00 0.00 N ATOM 1602 CA LEU A 109 3.045 -13.197 -2.808 1.00 0.00 C ATOM 1603 C LEU A 109 4.331 -12.412 -2.543 1.00 0.00 C ATOM 1604 O LEU A 109 4.476 -11.786 -1.494 1.00 0.00 O ATOM 1605 CB LEU A 109 1.850 -12.314 -3.172 1.00 0.00 C ATOM 1606 CG LEU A 109 1.246 -12.541 -4.558 1.00 0.00 C ATOM 1607 CD1 LEU A 109 2.091 -11.871 -5.642 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.043 -14.034 -4.830 1.00 0.00 C ATOM 0 H LEU A 109 1.752 -14.039 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 109 3.226 -13.823 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.069 -12.469 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.158 -11.271 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 109 0.262 -12.072 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.638 -12.048 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.140 -10.798 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.098 -12.288 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.612 -14.168 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.003 -14.547 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.369 -14.452 -4.082 1.00 0.00 H new ATOM 1620 N ASN A 110 5.234 -12.472 -3.511 1.00 0.00 N ATOM 1621 CA ASN A 110 6.503 -11.774 -3.396 1.00 0.00 C ATOM 1622 C ASN A 110 6.923 -11.257 -4.773 1.00 0.00 C ATOM 1623 O ASN A 110 7.427 -12.017 -5.599 1.00 0.00 O ATOM 1624 CB ASN A 110 7.601 -12.710 -2.888 1.00 0.00 C ATOM 1625 CG ASN A 110 8.028 -12.336 -1.467 1.00 0.00 C ATOM 1626 OD1 ASN A 110 8.921 -11.535 -1.251 1.00 0.00 O ATOM 1627 ND2 ASN A 110 7.339 -12.958 -0.515 1.00 0.00 N ATOM 0 H ASN A 110 5.112 -12.994 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 110 6.373 -10.953 -2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.243 -13.739 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.462 -12.662 -3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.546 -12.775 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 110 6.603 -13.618 -0.767 1.00 0.00 H new ATOM 1634 N MET A 111 6.698 -9.967 -4.979 1.00 0.00 N ATOM 1635 CA MET A 111 7.047 -9.339 -6.242 1.00 0.00 C ATOM 1636 C MET A 111 8.472 -8.784 -6.203 1.00 0.00 C ATOM 1637 O MET A 111 8.668 -7.573 -6.105 1.00 0.00 O ATOM 1638 CB MET A 111 6.064 -8.205 -6.537 1.00 0.00 C ATOM 1639 CG MET A 111 4.669 -8.753 -6.843 1.00 0.00 C ATOM 1640 SD MET A 111 3.432 -7.785 -5.996 1.00 0.00 S ATOM 1641 CE MET A 111 2.299 -7.484 -7.341 1.00 0.00 C ATOM 0 H MET A 111 6.278 -9.340 -4.292 1.00 0.00 H new ATOM 0 HA MET A 111 6.993 -10.092 -7.028 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.014 -7.531 -5.682 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.422 -7.620 -7.384 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.488 -8.729 -7.918 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.603 -9.795 -6.532 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.601 -6.695 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.857 -7.176 -8.225 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.745 -8.397 -7.561 1.00 0.00 H new