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= -18.2! C(o=-21!,f=-34!) USER MOD Set 1.2: A 97 GLN : amide:sc= -2.37 K(o=-21,f=-25!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -3.26! C(o=-3.7!,f=-7!) USER MOD Set 2.2: A 73 GLN : amide:sc= -0.397 K(o=-3.7,f=-7.9) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -1.68! C(o=-1.7!,f=-4.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0.539 (180deg=0.338) USER MOD Single : A 61 SER OG : rot -157:sc= -0.0232 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -75:sc= 0.518 USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -55:sc= 0.0265 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 152:sc= 1.18 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.00428 X(o=-0.0043,f=-0.13) 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= -0.0136 X(o=-0.014,f=-0.0062) USER MOD Single : A 98 SER OG : rot 59:sc= 0.404 USER MOD Single : A 104 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 110 ASN : amide:sc= -0.061 K(o=-0.061,f=-1.1) USER MOD Single : A 111 MET CE :methyl 171:sc= -1.91 (180deg=-2.04) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.306 -14.680 4.774 1.00 0.00 N ATOM 84 CA TYR A 9 -7.910 -14.794 3.381 1.00 0.00 C ATOM 85 C TYR A 9 -7.378 -16.195 3.076 1.00 0.00 C ATOM 86 O TYR A 9 -6.749 -16.824 3.926 1.00 0.00 O ATOM 87 CB TYR A 9 -6.785 -13.777 3.178 1.00 0.00 C ATOM 88 CG TYR A 9 -7.239 -12.468 2.529 1.00 0.00 C ATOM 89 CD1 TYR A 9 -7.555 -12.437 1.186 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.332 -11.319 3.286 1.00 0.00 C ATOM 91 CE1 TYR A 9 -7.982 -11.205 0.575 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.759 -10.087 2.675 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.063 -10.090 1.350 1.00 0.00 C ATOM 94 OH TYR A 9 -8.466 -8.927 0.774 1.00 0.00 O ATOM 0 HA TYR A 9 -8.760 -14.613 2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.332 -13.554 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.009 -14.228 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.482 -13.337 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.085 -11.343 4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.232 -11.167 -0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.836 -9.180 3.257 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.478 -8.215 1.448 1.00 0.00 H new ATOM 104 N ILE A 10 -7.648 -16.644 1.859 1.00 0.00 N ATOM 105 CA ILE A 10 -7.204 -17.959 1.430 1.00 0.00 C ATOM 106 C ILE A 10 -5.685 -18.053 1.581 1.00 0.00 C ATOM 107 O ILE A 10 -5.141 -19.142 1.764 1.00 0.00 O ATOM 108 CB ILE A 10 -7.701 -18.258 0.015 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.119 -17.265 -0.993 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.231 -18.292 -0.034 1.00 0.00 C ATOM 111 CD1 ILE A 10 -7.572 -17.598 -2.416 1.00 0.00 C ATOM 0 H ILE A 10 -8.169 -16.120 1.156 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.637 -18.733 2.064 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.347 -19.249 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.433 -16.254 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.030 -17.284 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.558 -18.506 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.599 -19.068 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.627 -17.325 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.144 -16.877 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.235 -18.601 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.660 -17.554 -2.471 1.00 0.00 H new ATOM 123 N PHE A 11 -5.041 -16.898 1.496 1.00 0.00 N ATOM 124 CA PHE A 11 -3.594 -16.837 1.620 1.00 0.00 C ATOM 125 C PHE A 11 -3.185 -16.135 2.918 1.00 0.00 C ATOM 126 O PHE A 11 -3.981 -15.413 3.514 1.00 0.00 O ATOM 127 CB PHE A 11 -3.077 -16.026 0.430 1.00 0.00 C ATOM 128 CG PHE A 11 -3.825 -14.711 0.202 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.716 -13.702 1.106 1.00 0.00 C ATOM 130 CD2 PHE A 11 -4.596 -14.552 -0.907 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.410 -12.481 0.894 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.289 -13.331 -1.119 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.181 -12.321 -0.215 1.00 0.00 C ATOM 0 H PHE A 11 -5.494 -15.997 1.343 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.178 -17.845 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.020 -15.809 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.150 -16.635 -0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.102 -13.829 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.681 -15.354 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.326 -11.680 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.902 -13.204 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.707 -11.392 -0.378 1.00 0.00 H new ATOM 143 N PRO A 12 -1.910 -16.378 3.325 1.00 0.00 N ATOM 144 CA PRO A 12 -1.385 -15.778 4.539 1.00 0.00 C ATOM 145 C PRO A 12 -1.071 -14.295 4.327 1.00 0.00 C ATOM 146 O PRO A 12 -0.250 -13.946 3.480 1.00 0.00 O ATOM 147 CB PRO A 12 -0.156 -16.602 4.886 1.00 0.00 C ATOM 148 CG PRO A 12 0.229 -17.334 3.610 1.00 0.00 C ATOM 149 CD PRO A 12 -0.938 -17.228 2.642 1.00 0.00 C ATOM 0 HA PRO A 12 -2.102 -15.793 5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.658 -15.964 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.372 -17.306 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.127 -16.896 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.455 -18.379 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.627 -16.791 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.358 -18.209 2.419 1.00 0.00 H new ATOM 157 N HIS A 13 -1.742 -13.463 5.109 1.00 0.00 N ATOM 158 CA HIS A 13 -1.544 -12.026 5.018 1.00 0.00 C ATOM 159 C HIS A 13 -1.580 -11.413 6.418 1.00 0.00 C ATOM 160 O HIS A 13 -1.946 -12.082 7.384 1.00 0.00 O ATOM 161 CB HIS A 13 -2.567 -11.397 4.068 1.00 0.00 C ATOM 162 CG HIS A 13 -3.786 -10.838 4.762 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.313 -11.394 5.914 1.00 0.00 N ATOM 164 CD2 HIS A 13 -4.573 -9.768 4.455 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.372 -10.682 6.275 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.531 -9.675 5.369 1.00 0.00 N ATOM 0 H HIS A 13 -2.424 -13.756 5.809 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.562 -11.816 4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.083 -10.598 3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.885 -12.148 3.345 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.949 -12.212 6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.440 -9.108 3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.998 -10.867 7.135 1.00 0.00 H new ATOM 174 N ALA A 14 -1.196 -10.147 6.486 1.00 0.00 N ATOM 175 CA ALA A 14 -1.179 -9.436 7.752 1.00 0.00 C ATOM 176 C ALA A 14 -1.644 -7.995 7.529 1.00 0.00 C ATOM 177 O ALA A 14 -1.225 -7.344 6.573 1.00 0.00 O ATOM 178 CB ALA A 14 0.223 -9.507 8.360 1.00 0.00 C ATOM 0 H ALA A 14 -0.894 -9.595 5.683 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.866 -9.899 8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.235 -8.973 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.495 -10.549 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.939 -9.049 7.678 1.00 0.00 H new ATOM 184 N ARG A 15 -2.505 -7.539 8.427 1.00 0.00 N ATOM 185 CA ARG A 15 -3.031 -6.188 8.341 1.00 0.00 C ATOM 186 C ARG A 15 -2.425 -5.311 9.439 1.00 0.00 C ATOM 187 O ARG A 15 -2.957 -5.241 10.546 1.00 0.00 O ATOM 188 CB ARG A 15 -4.556 -6.181 8.476 1.00 0.00 C ATOM 189 CG ARG A 15 -5.213 -6.902 7.297 1.00 0.00 C ATOM 190 CD ARG A 15 -6.680 -7.216 7.596 1.00 0.00 C ATOM 191 NE ARG A 15 -6.777 -8.433 8.434 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.835 -8.735 9.199 1.00 0.00 C ATOM 193 NH1 ARG A 15 -8.891 -7.913 9.238 1.00 0.00 N ATOM 194 NH2 ARG A 15 -7.835 -9.861 9.927 1.00 0.00 N ATOM 0 H ARG A 15 -2.851 -8.082 9.218 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.762 -5.789 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.844 -6.665 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.916 -5.153 8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.145 -6.282 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.675 -7.826 7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.144 -6.373 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.226 -7.362 6.664 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.990 -9.082 8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.891 -7.056 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.696 -8.144 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.030 -10.487 9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.640 -10.092 10.510 1.00 0.00 H new ATOM 208 N ILE A 16 -1.322 -4.664 9.094 1.00 0.00 N ATOM 209 CA ILE A 16 -0.638 -3.794 10.036 1.00 0.00 C ATOM 210 C ILE A 16 -0.943 -2.336 9.690 1.00 0.00 C ATOM 211 O ILE A 16 -1.274 -2.021 8.548 1.00 0.00 O ATOM 212 CB ILE A 16 0.856 -4.118 10.076 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.117 -5.413 10.849 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.656 -2.943 10.640 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.235 -6.604 9.898 1.00 0.00 C ATOM 0 H ILE A 16 -0.884 -4.725 8.175 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.004 -3.965 11.048 1.00 0.00 H new ATOM 0 HB ILE A 16 1.198 -4.280 9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.034 -5.315 11.431 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.307 -5.587 11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.715 -3.199 10.658 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.505 -2.065 10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.318 -2.726 11.653 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.420 -7.511 10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.308 -6.714 9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.061 -6.437 9.207 1.00 0.00 H new ATOM 227 N LYS A 17 -0.819 -1.483 10.697 1.00 0.00 N ATOM 228 CA LYS A 17 -1.076 -0.065 10.514 1.00 0.00 C ATOM 229 C LYS A 17 0.255 0.688 10.461 1.00 0.00 C ATOM 230 O LYS A 17 1.288 0.160 10.871 1.00 0.00 O ATOM 231 CB LYS A 17 -2.032 0.450 11.592 1.00 0.00 C ATOM 232 CG LYS A 17 -1.383 0.381 12.977 1.00 0.00 C ATOM 233 CD LYS A 17 -1.962 1.449 13.907 1.00 0.00 C ATOM 234 CE LYS A 17 -2.286 0.861 15.281 1.00 0.00 C ATOM 235 NZ LYS A 17 -3.740 0.941 15.549 1.00 0.00 N ATOM 0 H LYS A 17 -0.544 -1.748 11.643 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.580 0.111 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.316 1.479 11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.947 -0.142 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.542 -0.607 13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.306 0.519 12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.249 2.267 14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.865 1.870 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.959 -0.178 15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.738 1.401 16.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.943 0.538 16.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.043 1.936 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.257 0.406 14.822 1.00 0.00 H new ATOM 249 N ILE A 18 0.188 1.910 9.951 1.00 0.00 N ATOM 250 CA ILE A 18 1.374 2.739 9.839 1.00 0.00 C ATOM 251 C ILE A 18 1.090 4.112 10.452 1.00 0.00 C ATOM 252 O ILE A 18 0.155 4.798 10.042 1.00 0.00 O ATOM 253 CB ILE A 18 1.849 2.801 8.386 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.984 1.398 7.793 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.149 3.600 8.268 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.658 1.400 6.299 1.00 0.00 C ATOM 0 H ILE A 18 -0.670 2.345 9.611 1.00 0.00 H new ATOM 0 HA ILE A 18 2.199 2.302 10.401 1.00 0.00 H new ATOM 0 HB ILE A 18 1.093 3.326 7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.999 1.031 7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.315 0.713 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.465 3.629 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.985 4.617 8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.924 3.125 8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.762 0.390 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.635 1.745 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.345 2.067 5.778 1.00 0.00 H new ATOM 268 N THR A 19 1.915 4.473 11.425 1.00 0.00 N ATOM 269 CA THR A 19 1.764 5.751 12.098 1.00 0.00 C ATOM 270 C THR A 19 2.880 6.710 11.678 1.00 0.00 C ATOM 271 O THR A 19 4.027 6.298 11.513 1.00 0.00 O ATOM 272 CB THR A 19 1.722 5.490 13.605 1.00 0.00 C ATOM 273 OG1 THR A 19 2.020 4.101 13.725 1.00 0.00 O ATOM 274 CG2 THR A 19 0.312 5.619 14.184 1.00 0.00 C ATOM 0 H THR A 19 2.690 3.902 11.763 1.00 0.00 H new ATOM 0 HA THR A 19 0.833 6.241 11.813 1.00 0.00 H new ATOM 0 HB THR A 19 2.387 6.189 14.112 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.015 3.846 14.671 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.340 5.424 15.256 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.063 6.627 14.008 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.347 4.898 13.701 1.00 0.00 H new ATOM 449 N LEU A 32 3.638 9.255 4.792 1.00 0.00 N ATOM 450 CA LEU A 32 4.292 8.268 5.633 1.00 0.00 C ATOM 451 C LEU A 32 5.751 8.120 5.195 1.00 0.00 C ATOM 452 O LEU A 32 6.665 8.286 6.002 1.00 0.00 O ATOM 453 CB LEU A 32 3.510 6.953 5.624 1.00 0.00 C ATOM 454 CG LEU A 32 2.172 6.963 6.367 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.280 7.743 7.680 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.053 7.499 5.472 1.00 0.00 C ATOM 0 HA LEU A 32 4.302 8.598 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.325 6.670 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.139 6.176 6.059 1.00 0.00 H new ATOM 0 HG LEU A 32 1.915 5.935 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.316 7.735 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.031 7.278 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.570 8.772 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.113 7.496 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.290 8.518 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.958 6.866 4.590 1.00 0.00 H new ATOM 468 N GLY A 33 5.923 7.806 3.920 1.00 0.00 N ATOM 469 CA GLY A 33 7.256 7.632 3.365 1.00 0.00 C ATOM 470 C GLY A 33 7.399 6.262 2.703 1.00 0.00 C ATOM 471 O GLY A 33 8.427 5.602 2.847 1.00 0.00 O ATOM 0 H GLY A 33 5.162 7.667 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.455 8.416 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.999 7.737 4.155 1.00 0.00 H new ATOM 475 N ILE A 34 6.353 5.873 1.987 1.00 0.00 N ATOM 476 CA ILE A 34 6.349 4.592 1.301 1.00 0.00 C ATOM 477 C ILE A 34 5.789 4.776 -0.111 1.00 0.00 C ATOM 478 O ILE A 34 4.736 5.386 -0.289 1.00 0.00 O ATOM 479 CB ILE A 34 5.603 3.543 2.128 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.678 2.167 1.465 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.159 3.976 2.388 1.00 0.00 C ATOM 482 CD1 ILE A 34 5.668 1.052 2.513 1.00 0.00 C ATOM 0 H ILE A 34 5.502 6.423 1.867 1.00 0.00 H new ATOM 0 HA ILE A 34 7.366 4.214 1.194 1.00 0.00 H new ATOM 0 HB ILE A 34 6.094 3.460 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.835 2.040 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.585 2.098 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.651 3.213 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.155 4.919 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.641 4.105 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.722 0.084 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.526 1.168 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.749 1.109 3.096 1.00 0.00 H new ATOM 494 N ARG A 35 6.516 4.236 -1.077 1.00 0.00 N ATOM 495 CA ARG A 35 6.105 4.333 -2.467 1.00 0.00 C ATOM 496 C ARG A 35 5.465 3.020 -2.924 1.00 0.00 C ATOM 497 O ARG A 35 6.163 2.033 -3.152 1.00 0.00 O ATOM 498 CB ARG A 35 7.294 4.657 -3.373 1.00 0.00 C ATOM 499 CG ARG A 35 7.443 6.167 -3.566 1.00 0.00 C ATOM 500 CD ARG A 35 8.188 6.483 -4.864 1.00 0.00 C ATOM 501 NE ARG A 35 7.574 7.656 -5.527 1.00 0.00 N ATOM 502 CZ ARG A 35 8.182 8.387 -6.471 1.00 0.00 C ATOM 503 NH1 ARG A 35 9.422 8.072 -6.870 1.00 0.00 N ATOM 504 NH2 ARG A 35 7.549 9.435 -7.016 1.00 0.00 N ATOM 0 H ARG A 35 7.388 3.729 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 35 5.377 5.141 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.208 4.251 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.160 4.175 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.458 6.634 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.982 6.594 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.238 6.684 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.157 5.621 -5.530 1.00 0.00 H new ATOM 0 HE ARG A 35 6.630 7.924 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.904 7.275 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.884 8.629 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.605 9.675 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.011 9.992 -7.735 1.00 0.00 H new ATOM 518 N ILE A 36 4.146 3.052 -3.044 1.00 0.00 N ATOM 519 CA ILE A 36 3.405 1.876 -3.470 1.00 0.00 C ATOM 520 C ILE A 36 2.886 2.093 -4.892 1.00 0.00 C ATOM 521 O ILE A 36 2.131 3.030 -5.146 1.00 0.00 O ATOM 522 CB ILE A 36 2.306 1.541 -2.459 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.903 1.220 -1.086 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.414 0.410 -2.975 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.803 0.901 -0.072 1.00 0.00 C ATOM 0 H ILE A 36 3.571 3.873 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 36 4.058 1.004 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 36 1.674 2.420 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.582 0.372 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.492 2.067 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.641 0.191 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.947 0.714 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.018 -0.482 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.253 0.677 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.140 1.760 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.231 0.039 -0.415 1.00 0.00 H new ATOM 537 N VAL A 37 3.314 1.212 -5.784 1.00 0.00 N ATOM 538 CA VAL A 37 2.902 1.295 -7.175 1.00 0.00 C ATOM 539 C VAL A 37 1.447 0.838 -7.300 1.00 0.00 C ATOM 540 O VAL A 37 0.690 0.896 -6.333 1.00 0.00 O ATOM 541 CB VAL A 37 3.859 0.488 -8.054 1.00 0.00 C ATOM 542 CG1 VAL A 37 5.317 0.823 -7.729 1.00 0.00 C ATOM 543 CG2 VAL A 37 3.598 -1.013 -7.914 1.00 0.00 C ATOM 0 H VAL A 37 3.942 0.437 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 37 2.951 2.326 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 37 3.675 0.765 -9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.976 0.236 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.494 1.884 -7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.520 0.588 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.292 -1.564 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.741 -1.312 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.575 -1.234 -8.217 1.00 0.00 H new ATOM 553 N GLY A 38 1.100 0.395 -8.500 1.00 0.00 N ATOM 554 CA GLY A 38 -0.250 -0.071 -8.763 1.00 0.00 C ATOM 555 C GLY A 38 -0.465 -0.311 -10.259 1.00 0.00 C ATOM 556 O GLY A 38 0.224 0.277 -11.091 1.00 0.00 O ATOM 0 H GLY A 38 1.731 0.349 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.434 -0.994 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.969 0.664 -8.402 1.00 0.00 H new ATOM 560 N GLY A 39 -1.426 -1.174 -10.556 1.00 0.00 N ATOM 561 CA GLY A 39 -1.740 -1.498 -11.937 1.00 0.00 C ATOM 562 C GLY A 39 -0.628 -2.337 -12.571 1.00 0.00 C ATOM 563 O GLY A 39 -0.672 -2.633 -13.764 1.00 0.00 O ATOM 0 H GLY A 39 -1.997 -1.659 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.682 -2.044 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.877 -0.579 -12.507 1.00 0.00 H new ATOM 567 N LYS A 40 0.343 -2.695 -11.744 1.00 0.00 N ATOM 568 CA LYS A 40 1.465 -3.494 -12.207 1.00 0.00 C ATOM 569 C LYS A 40 1.082 -4.975 -12.169 1.00 0.00 C ATOM 570 O LYS A 40 0.553 -5.456 -11.169 1.00 0.00 O ATOM 571 CB LYS A 40 2.726 -3.163 -11.407 1.00 0.00 C ATOM 572 CG LYS A 40 3.966 -3.186 -12.302 1.00 0.00 C ATOM 573 CD LYS A 40 4.711 -4.517 -12.174 1.00 0.00 C ATOM 574 CE LYS A 40 6.209 -4.333 -12.421 1.00 0.00 C ATOM 575 NZ LYS A 40 6.759 -5.490 -13.162 1.00 0.00 N ATOM 0 H LYS A 40 0.376 -2.446 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 40 1.702 -3.253 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.622 -2.179 -10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.845 -3.881 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.673 -3.028 -13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.630 -2.366 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.551 -4.933 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.307 -5.234 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.380 -3.417 -12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.729 -4.222 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.777 -5.348 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.613 -6.358 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.274 -5.578 -14.078 1.00 0.00 H new ATOM 589 N GLU A 41 1.365 -5.655 -13.271 1.00 0.00 N ATOM 590 CA GLU A 41 1.056 -7.072 -13.375 1.00 0.00 C ATOM 591 C GLU A 41 1.390 -7.785 -12.064 1.00 0.00 C ATOM 592 O GLU A 41 2.283 -7.361 -11.332 1.00 0.00 O ATOM 593 CB GLU A 41 1.799 -7.709 -14.551 1.00 0.00 C ATOM 594 CG GLU A 41 1.042 -8.927 -15.082 1.00 0.00 C ATOM 595 CD GLU A 41 1.750 -9.524 -16.300 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.772 -8.831 -17.340 1.00 0.00 O ATOM 597 OE2 GLU A 41 2.253 -10.660 -16.163 1.00 0.00 O ATOM 0 H GLU A 41 1.804 -5.252 -14.099 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.013 -7.179 -13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.921 -6.976 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.799 -8.007 -14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.962 -9.680 -14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.026 -8.639 -15.352 1.00 0.00 H new ATOM 604 N ILE A 42 0.654 -8.856 -11.806 1.00 0.00 N ATOM 605 CA ILE A 42 0.860 -9.633 -10.595 1.00 0.00 C ATOM 606 C ILE A 42 1.399 -11.016 -10.968 1.00 0.00 C ATOM 607 O ILE A 42 0.964 -11.612 -11.951 1.00 0.00 O ATOM 608 CB ILE A 42 -0.421 -9.677 -9.762 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.986 -8.270 -9.550 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.189 -10.406 -8.437 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.335 -8.323 -8.829 1.00 0.00 C ATOM 0 H ILE A 42 -0.086 -9.204 -12.415 1.00 0.00 H new ATOM 0 HA ILE A 42 1.609 -9.158 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.169 -10.245 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.282 -7.675 -8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.104 -7.773 -10.513 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.116 -10.423 -7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.134 -11.428 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.581 -9.887 -7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.714 -7.310 -8.691 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.044 -8.898 -9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.209 -8.799 -7.856 1.00 0.00 H new ATOM 623 N PRO A 43 2.364 -11.499 -10.140 1.00 0.00 N ATOM 624 CA PRO A 43 2.967 -12.800 -10.371 1.00 0.00 C ATOM 625 C PRO A 43 2.011 -13.926 -9.971 1.00 0.00 C ATOM 626 O PRO A 43 1.353 -13.847 -8.936 1.00 0.00 O ATOM 627 CB PRO A 43 4.249 -12.791 -9.555 1.00 0.00 C ATOM 628 CG PRO A 43 4.086 -11.676 -8.536 1.00 0.00 C ATOM 629 CD PRO A 43 2.905 -10.821 -8.964 1.00 0.00 C ATOM 0 HA PRO A 43 3.183 -12.982 -11.424 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.405 -13.751 -9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.116 -12.615 -10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.917 -12.090 -7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.993 -11.074 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.161 -10.748 -8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.218 -9.804 -9.202 1.00 0.00 H new ATOM 637 N GLY A 44 1.966 -14.949 -10.814 1.00 0.00 N ATOM 638 CA GLY A 44 1.103 -16.089 -10.562 1.00 0.00 C ATOM 639 C GLY A 44 -0.352 -15.763 -10.907 1.00 0.00 C ATOM 640 O GLY A 44 -0.988 -16.484 -11.674 1.00 0.00 O ATOM 0 H GLY A 44 2.514 -15.011 -11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.438 -16.941 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.176 -16.380 -9.514 1.00 0.00 H new ATOM 644 N HIS A 45 -0.835 -14.675 -10.325 1.00 0.00 N ATOM 645 CA HIS A 45 -2.202 -14.244 -10.562 1.00 0.00 C ATOM 646 C HIS A 45 -2.553 -14.438 -12.039 1.00 0.00 C ATOM 647 O HIS A 45 -1.704 -14.260 -12.911 1.00 0.00 O ATOM 648 CB HIS A 45 -2.409 -12.805 -10.087 1.00 0.00 C ATOM 649 CG HIS A 45 -2.510 -12.662 -8.588 1.00 0.00 C ATOM 650 ND1 HIS A 45 -1.436 -12.866 -7.740 1.00 0.00 N ATOM 651 CD2 HIS A 45 -3.570 -12.330 -7.794 1.00 0.00 C ATOM 652 CE1 HIS A 45 -1.841 -12.666 -6.495 1.00 0.00 C ATOM 653 NE2 HIS A 45 -3.164 -12.335 -6.530 1.00 0.00 N ATOM 0 H HIS A 45 -0.304 -14.079 -9.690 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.887 -14.859 -9.978 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.582 -12.192 -10.445 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.318 -12.410 -10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.569 -12.102 -8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.231 -12.750 -5.608 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.746 -12.126 -5.719 1.00 0.00 H new ATOM 661 N SER A 46 -3.806 -14.799 -12.274 1.00 0.00 N ATOM 662 CA SER A 46 -4.279 -15.019 -13.631 1.00 0.00 C ATOM 663 C SER A 46 -4.501 -13.677 -14.331 1.00 0.00 C ATOM 664 O SER A 46 -5.577 -13.091 -14.229 1.00 0.00 O ATOM 665 CB SER A 46 -5.568 -15.842 -13.638 1.00 0.00 C ATOM 666 OG SER A 46 -5.308 -17.242 -13.692 1.00 0.00 O ATOM 0 H SER A 46 -4.508 -14.945 -11.548 1.00 0.00 H new ATOM 0 HA SER A 46 -3.518 -15.582 -14.172 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.148 -15.615 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.178 -15.553 -14.494 1.00 0.00 H new ATOM 0 HG SER A 46 -6.156 -17.732 -13.693 1.00 0.00 H new ATOM 672 N GLY A 47 -3.465 -13.230 -15.026 1.00 0.00 N ATOM 673 CA GLY A 47 -3.534 -11.968 -15.743 1.00 0.00 C ATOM 674 C GLY A 47 -4.312 -10.923 -14.940 1.00 0.00 C ATOM 675 O GLY A 47 -5.471 -10.641 -15.242 1.00 0.00 O ATOM 0 H GLY A 47 -2.574 -13.719 -15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.526 -11.603 -15.942 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.014 -12.121 -16.710 1.00 0.00 H new ATOM 679 N GLU A 48 -3.645 -10.378 -13.934 1.00 0.00 N ATOM 680 CA GLU A 48 -4.260 -9.372 -13.086 1.00 0.00 C ATOM 681 C GLU A 48 -3.226 -8.323 -12.673 1.00 0.00 C ATOM 682 O GLU A 48 -2.044 -8.632 -12.533 1.00 0.00 O ATOM 683 CB GLU A 48 -4.912 -10.012 -11.859 1.00 0.00 C ATOM 684 CG GLU A 48 -5.954 -9.076 -11.241 1.00 0.00 C ATOM 685 CD GLU A 48 -7.224 -9.032 -12.093 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.918 -10.071 -12.133 1.00 0.00 O ATOM 687 OE2 GLU A 48 -7.472 -7.959 -12.686 1.00 0.00 O ATOM 0 H GLU A 48 -2.684 -10.614 -13.687 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.046 -8.876 -13.656 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.385 -10.952 -12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.148 -10.250 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.199 -9.413 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.538 -8.073 -11.149 1.00 0.00 H new ATOM 694 N ILE A 49 -3.708 -7.102 -12.488 1.00 0.00 N ATOM 695 CA ILE A 49 -2.840 -6.006 -12.094 1.00 0.00 C ATOM 696 C ILE A 49 -3.094 -5.665 -10.624 1.00 0.00 C ATOM 697 O ILE A 49 -4.225 -5.747 -10.150 1.00 0.00 O ATOM 698 CB ILE A 49 -3.016 -4.816 -13.041 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.498 -4.496 -13.249 1.00 0.00 C ATOM 700 CG2 ILE A 49 -2.290 -5.058 -14.365 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.673 -3.146 -13.947 1.00 0.00 C ATOM 0 H ILE A 49 -4.689 -6.848 -12.604 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.793 -6.299 -12.178 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.560 -3.940 -12.579 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.963 -5.281 -13.845 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.009 -4.481 -12.287 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.431 -4.198 -15.020 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.226 -5.200 -14.176 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.695 -5.949 -14.845 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.735 -2.942 -14.083 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.228 -2.360 -13.337 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.181 -3.173 -14.919 1.00 0.00 H new ATOM 713 N GLY A 50 -2.020 -5.289 -9.944 1.00 0.00 N ATOM 714 CA GLY A 50 -2.111 -4.936 -8.538 1.00 0.00 C ATOM 715 C GLY A 50 -1.055 -3.893 -8.165 1.00 0.00 C ATOM 716 O GLY A 50 -0.560 -3.169 -9.028 1.00 0.00 O ATOM 0 H GLY A 50 -1.083 -5.221 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.105 -4.546 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.978 -5.828 -7.926 1.00 0.00 H new ATOM 720 N ALA A 51 -0.741 -3.849 -6.878 1.00 0.00 N ATOM 721 CA ALA A 51 0.247 -2.907 -6.382 1.00 0.00 C ATOM 722 C ALA A 51 1.269 -3.653 -5.520 1.00 0.00 C ATOM 723 O ALA A 51 0.902 -4.509 -4.718 1.00 0.00 O ATOM 724 CB ALA A 51 -0.456 -1.788 -5.611 1.00 0.00 C ATOM 0 H ALA A 51 -1.153 -4.450 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 51 0.786 -2.446 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.286 -1.081 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.150 -1.271 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.005 -2.214 -4.771 1.00 0.00 H new ATOM 730 N TYR A 52 2.531 -3.302 -5.719 1.00 0.00 N ATOM 731 CA TYR A 52 3.609 -3.928 -4.971 1.00 0.00 C ATOM 732 C TYR A 52 4.566 -2.877 -4.407 1.00 0.00 C ATOM 733 O TYR A 52 4.842 -1.870 -5.057 1.00 0.00 O ATOM 734 CB TYR A 52 4.363 -4.804 -5.973 1.00 0.00 C ATOM 735 CG TYR A 52 5.352 -4.034 -6.850 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.909 -3.383 -7.983 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.689 -3.992 -6.509 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.840 -2.660 -8.809 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.620 -3.267 -7.335 1.00 0.00 C ATOM 740 CZ TYR A 52 7.150 -2.637 -8.444 1.00 0.00 C ATOM 741 OH TYR A 52 8.029 -1.953 -9.225 1.00 0.00 O ATOM 0 H TYR A 52 2.831 -2.592 -6.387 1.00 0.00 H new ATOM 0 HA TYR A 52 3.214 -4.500 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.903 -5.579 -5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.641 -5.309 -6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.863 -3.416 -8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.037 -4.503 -5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.506 -2.147 -9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.668 -3.225 -7.079 1.00 0.00 H new ATOM 0 HH TYR A 52 8.929 -2.022 -8.842 1.00 0.00 H new ATOM 751 N ILE A 53 5.048 -3.148 -3.203 1.00 0.00 N ATOM 752 CA ILE A 53 5.969 -2.239 -2.543 1.00 0.00 C ATOM 753 C ILE A 53 7.167 -1.981 -3.458 1.00 0.00 C ATOM 754 O ILE A 53 7.993 -2.868 -3.669 1.00 0.00 O ATOM 755 CB ILE A 53 6.353 -2.773 -1.162 1.00 0.00 C ATOM 756 CG1 ILE A 53 5.167 -2.701 -0.197 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.582 -2.043 -0.614 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.388 -3.614 1.012 1.00 0.00 C ATOM 0 H ILE A 53 4.818 -3.985 -2.667 1.00 0.00 H new ATOM 0 HA ILE A 53 5.491 -1.276 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 53 6.622 -3.824 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.029 -1.673 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.253 -2.992 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.834 -2.442 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.424 -2.189 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.365 -0.978 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.531 -3.544 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.502 -4.644 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.289 -3.305 1.542 1.00 0.00 H new ATOM 770 N ALA A 54 7.225 -0.763 -3.977 1.00 0.00 N ATOM 771 CA ALA A 54 8.310 -0.379 -4.865 1.00 0.00 C ATOM 772 C ALA A 54 9.602 -0.248 -4.057 1.00 0.00 C ATOM 773 O ALA A 54 10.602 -0.893 -4.370 1.00 0.00 O ATOM 774 CB ALA A 54 7.941 0.918 -5.590 1.00 0.00 C ATOM 0 H ALA A 54 6.539 -0.029 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 54 8.473 -1.143 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.754 1.207 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.033 0.764 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.773 1.709 -4.859 1.00 0.00 H new ATOM 780 N LYS A 55 9.541 0.591 -3.033 1.00 0.00 N ATOM 781 CA LYS A 55 10.694 0.815 -2.179 1.00 0.00 C ATOM 782 C LYS A 55 10.242 1.510 -0.892 1.00 0.00 C ATOM 783 O LYS A 55 9.541 2.519 -0.940 1.00 0.00 O ATOM 784 CB LYS A 55 11.784 1.575 -2.937 1.00 0.00 C ATOM 785 CG LYS A 55 12.565 2.497 -1.999 1.00 0.00 C ATOM 786 CD LYS A 55 13.467 1.691 -1.063 1.00 0.00 C ATOM 787 CE LYS A 55 14.375 2.614 -0.247 1.00 0.00 C ATOM 788 NZ LYS A 55 14.710 1.992 1.054 1.00 0.00 N ATOM 0 H LYS A 55 8.710 1.124 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 55 11.143 -0.135 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.466 0.867 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.333 2.162 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.169 3.190 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.870 3.098 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.855 1.090 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.075 0.999 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.289 2.821 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.878 3.570 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.554 2.452 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.911 2.108 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.900 0.979 0.916 1.00 0.00 H new ATOM 802 N ILE A 56 10.663 0.940 0.228 1.00 0.00 N ATOM 803 CA ILE A 56 10.311 1.493 1.525 1.00 0.00 C ATOM 804 C ILE A 56 11.161 2.736 1.794 1.00 0.00 C ATOM 805 O ILE A 56 12.165 2.666 2.500 1.00 0.00 O ATOM 806 CB ILE A 56 10.427 0.422 2.612 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.458 -0.733 2.349 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.231 1.030 4.003 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.134 -1.481 3.644 1.00 0.00 C ATOM 0 H ILE A 56 11.244 0.102 0.264 1.00 0.00 H new ATOM 0 HA ILE A 56 9.269 1.812 1.533 1.00 0.00 H new ATOM 0 HB ILE A 56 11.435 0.010 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.539 -0.348 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.895 -1.422 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.318 0.248 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.992 1.790 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.243 1.485 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.444 -2.297 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.052 -1.885 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.675 -0.795 4.356 1.00 0.00 H new ATOM 821 N LEU A 57 10.727 3.846 1.215 1.00 0.00 N ATOM 822 CA LEU A 57 11.436 5.104 1.383 1.00 0.00 C ATOM 823 C LEU A 57 11.911 5.227 2.832 1.00 0.00 C ATOM 824 O LEU A 57 11.304 4.658 3.738 1.00 0.00 O ATOM 825 CB LEU A 57 10.567 6.275 0.919 1.00 0.00 C ATOM 826 CG LEU A 57 10.840 6.794 -0.494 1.00 0.00 C ATOM 827 CD1 LEU A 57 10.022 6.022 -1.530 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.599 8.302 -0.581 1.00 0.00 C ATOM 0 H LEU A 57 9.894 3.901 0.629 1.00 0.00 H new ATOM 0 HA LEU A 57 12.325 5.128 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.522 5.971 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.699 7.100 1.619 1.00 0.00 H new ATOM 0 HG LEU A 57 11.892 6.623 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.235 6.411 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.287 4.966 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.960 6.138 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.800 8.645 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.563 8.520 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.262 8.817 0.114 1.00 0.00 H new ATOM 840 N PRO A 58 13.020 5.993 3.010 1.00 0.00 N ATOM 841 CA PRO A 58 13.583 6.198 4.334 1.00 0.00 C ATOM 842 C PRO A 58 12.734 7.178 5.145 1.00 0.00 C ATOM 843 O PRO A 58 12.890 8.392 5.019 1.00 0.00 O ATOM 844 CB PRO A 58 14.997 6.700 4.086 1.00 0.00 C ATOM 845 CG PRO A 58 15.017 7.199 2.651 1.00 0.00 C ATOM 846 CD PRO A 58 13.765 6.681 1.961 1.00 0.00 C ATOM 0 HA PRO A 58 13.597 5.286 4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.255 7.499 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.726 5.903 4.232 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.044 8.288 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.911 6.846 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.183 7.497 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.015 6.004 1.144 1.00 0.00 H new ATOM 854 N GLY A 59 11.854 6.616 5.961 1.00 0.00 N ATOM 855 CA GLY A 59 10.980 7.425 6.792 1.00 0.00 C ATOM 856 C GLY A 59 10.942 6.894 8.227 1.00 0.00 C ATOM 857 O GLY A 59 11.254 7.619 9.170 1.00 0.00 O ATOM 0 H GLY A 59 11.728 5.609 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.326 8.459 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.973 7.426 6.374 1.00 0.00 H new ATOM 861 N GLY A 60 10.555 5.632 8.346 1.00 0.00 N ATOM 862 CA GLY A 60 10.471 4.996 9.649 1.00 0.00 C ATOM 863 C GLY A 60 9.022 4.657 10.002 1.00 0.00 C ATOM 864 O GLY A 60 8.742 4.178 11.100 1.00 0.00 O ATOM 0 H GLY A 60 10.296 5.034 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.072 4.087 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.889 5.658 10.408 1.00 0.00 H new ATOM 868 N SER A 61 8.138 4.919 9.050 1.00 0.00 N ATOM 869 CA SER A 61 6.724 4.649 9.247 1.00 0.00 C ATOM 870 C SER A 61 6.424 3.182 8.935 1.00 0.00 C ATOM 871 O SER A 61 5.861 2.469 9.765 1.00 0.00 O ATOM 872 CB SER A 61 5.862 5.564 8.375 1.00 0.00 C ATOM 873 OG SER A 61 6.641 6.547 7.699 1.00 0.00 O ATOM 0 H SER A 61 8.374 5.315 8.140 1.00 0.00 H new ATOM 0 HA SER A 61 6.479 4.850 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.322 4.964 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.115 6.058 8.996 1.00 0.00 H new ATOM 0 HG SER A 61 6.073 7.311 7.466 1.00 0.00 H new ATOM 879 N ALA A 62 6.813 2.774 7.736 1.00 0.00 N ATOM 880 CA ALA A 62 6.592 1.404 7.304 1.00 0.00 C ATOM 881 C ALA A 62 7.874 0.595 7.509 1.00 0.00 C ATOM 882 O ALA A 62 7.821 -0.611 7.743 1.00 0.00 O ATOM 883 CB ALA A 62 6.126 1.396 5.846 1.00 0.00 C ATOM 0 H ALA A 62 7.280 3.368 7.050 1.00 0.00 H new ATOM 0 HA ALA A 62 5.808 0.937 7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.960 0.368 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.196 1.958 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.889 1.856 5.218 1.00 0.00 H new ATOM 889 N GLU A 63 8.997 1.294 7.417 1.00 0.00 N ATOM 890 CA GLU A 63 10.292 0.656 7.589 1.00 0.00 C ATOM 891 C GLU A 63 10.451 0.162 9.028 1.00 0.00 C ATOM 892 O GLU A 63 11.297 -0.687 9.307 1.00 0.00 O ATOM 893 CB GLU A 63 11.427 1.607 7.207 1.00 0.00 C ATOM 894 CG GLU A 63 12.775 0.884 7.220 1.00 0.00 C ATOM 895 CD GLU A 63 12.907 -0.053 6.018 1.00 0.00 C ATOM 896 OE1 GLU A 63 12.163 -1.058 5.999 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.747 0.256 5.146 1.00 0.00 O ATOM 0 H GLU A 63 9.037 2.295 7.226 1.00 0.00 H new ATOM 0 HA GLU A 63 10.344 -0.204 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.242 2.021 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.453 2.446 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.584 1.615 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.877 0.313 8.143 1.00 0.00 H new ATOM 904 N GLN A 64 9.625 0.714 9.905 1.00 0.00 N ATOM 905 CA GLN A 64 9.665 0.340 11.309 1.00 0.00 C ATOM 906 C GLN A 64 8.919 -0.977 11.528 1.00 0.00 C ATOM 907 O GLN A 64 9.474 -1.923 12.086 1.00 0.00 O ATOM 908 CB GLN A 64 9.087 1.451 12.189 1.00 0.00 C ATOM 909 CG GLN A 64 10.202 2.282 12.825 1.00 0.00 C ATOM 910 CD GLN A 64 9.944 2.494 14.318 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.027 3.188 14.724 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.802 1.857 15.111 1.00 0.00 N ATOM 0 H GLN A 64 8.924 1.417 9.671 1.00 0.00 H new ATOM 0 HA GLN A 64 10.706 0.198 11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.444 2.096 11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.464 1.015 12.969 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.159 1.780 12.685 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.272 3.247 12.324 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.548 1.292 14.706 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.714 1.934 16.124 1.00 0.00 H new ATOM 921 N THR A 65 7.673 -0.998 11.078 1.00 0.00 N ATOM 922 CA THR A 65 6.846 -2.183 11.218 1.00 0.00 C ATOM 923 C THR A 65 7.688 -3.447 11.024 1.00 0.00 C ATOM 924 O THR A 65 7.620 -4.372 11.832 1.00 0.00 O ATOM 925 CB THR A 65 5.685 -2.070 10.228 1.00 0.00 C ATOM 926 OG1 THR A 65 6.319 -2.027 8.953 1.00 0.00 O ATOM 927 CG2 THR A 65 4.959 -0.727 10.329 1.00 0.00 C ATOM 0 H THR A 65 7.216 -0.212 10.616 1.00 0.00 H new ATOM 0 HA THR A 65 6.430 -2.257 12.223 1.00 0.00 H new ATOM 0 HB THR A 65 4.977 -2.880 10.405 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.716 -1.142 8.815 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.144 -0.699 9.605 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.556 -0.606 11.334 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.659 0.082 10.119 1.00 0.00 H new ATOM 935 N GLY A 66 8.461 -3.445 9.949 1.00 0.00 N ATOM 936 CA GLY A 66 9.315 -4.579 9.639 1.00 0.00 C ATOM 937 C GLY A 66 8.560 -5.623 8.812 1.00 0.00 C ATOM 938 O GLY A 66 9.119 -6.207 7.884 1.00 0.00 O ATOM 0 H GLY A 66 8.514 -2.676 9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.192 -4.239 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.674 -5.032 10.563 1.00 0.00 H new ATOM 942 N LYS A 67 7.303 -5.825 9.177 1.00 0.00 N ATOM 943 CA LYS A 67 6.467 -6.789 8.481 1.00 0.00 C ATOM 944 C LYS A 67 6.359 -6.391 7.007 1.00 0.00 C ATOM 945 O LYS A 67 6.007 -7.214 6.162 1.00 0.00 O ATOM 946 CB LYS A 67 5.114 -6.929 9.180 1.00 0.00 C ATOM 947 CG LYS A 67 4.803 -8.396 9.484 1.00 0.00 C ATOM 948 CD LYS A 67 4.015 -8.531 10.789 1.00 0.00 C ATOM 949 CE LYS A 67 3.853 -10.001 11.181 1.00 0.00 C ATOM 950 NZ LYS A 67 5.112 -10.526 11.755 1.00 0.00 N ATOM 0 H LYS A 67 6.843 -5.338 9.946 1.00 0.00 H new ATOM 0 HA LYS A 67 6.920 -7.780 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.118 -6.355 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.330 -6.510 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.230 -8.828 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.732 -8.961 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.529 -7.993 11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.033 -8.071 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.045 -10.103 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.573 -10.588 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.956 -11.492 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.849 -10.541 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.417 -9.915 12.539 1.00 0.00 H new ATOM 964 N LEU A 68 6.666 -5.130 6.743 1.00 0.00 N ATOM 965 CA LEU A 68 6.609 -4.614 5.385 1.00 0.00 C ATOM 966 C LEU A 68 7.973 -4.792 4.717 1.00 0.00 C ATOM 967 O LEU A 68 8.981 -4.289 5.212 1.00 0.00 O ATOM 968 CB LEU A 68 6.107 -3.169 5.384 1.00 0.00 C ATOM 969 CG LEU A 68 4.600 -2.981 5.568 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.859 -3.157 4.241 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.060 -3.915 6.654 1.00 0.00 C ATOM 0 H LEU A 68 6.955 -4.450 7.446 1.00 0.00 H new ATOM 0 HA LEU A 68 5.889 -5.179 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.620 -2.627 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.398 -2.705 4.442 1.00 0.00 H new ATOM 0 HG LEU A 68 4.422 -1.959 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.790 -3.018 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.218 -2.419 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.041 -4.159 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.987 -3.762 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.251 -4.950 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.557 -3.699 7.600 1.00 0.00 H new ATOM 983 N MET A 69 7.962 -5.510 3.604 1.00 0.00 N ATOM 984 CA MET A 69 9.186 -5.761 2.863 1.00 0.00 C ATOM 985 C MET A 69 8.950 -5.635 1.356 1.00 0.00 C ATOM 986 O MET A 69 7.952 -6.132 0.837 1.00 0.00 O ATOM 987 CB MET A 69 9.699 -7.166 3.184 1.00 0.00 C ATOM 988 CG MET A 69 9.984 -7.316 4.679 1.00 0.00 C ATOM 989 SD MET A 69 11.364 -8.421 4.929 1.00 0.00 S ATOM 990 CE MET A 69 12.668 -7.232 5.200 1.00 0.00 C ATOM 0 H MET A 69 7.124 -5.926 3.197 1.00 0.00 H new ATOM 0 HA MET A 69 9.927 -5.018 3.159 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.961 -7.906 2.875 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.607 -7.364 2.615 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.204 -6.342 5.115 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.101 -7.702 5.189 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.608 -7.756 5.374 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.766 -6.593 4.322 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.428 -6.620 6.069 1.00 0.00 H new ATOM 1000 N GLU A 70 9.887 -4.969 0.696 1.00 0.00 N ATOM 1001 CA GLU A 70 9.794 -4.772 -0.740 1.00 0.00 C ATOM 1002 C GLU A 70 9.433 -6.087 -1.434 1.00 0.00 C ATOM 1003 O GLU A 70 9.663 -7.165 -0.887 1.00 0.00 O ATOM 1004 CB GLU A 70 11.096 -4.195 -1.300 1.00 0.00 C ATOM 1005 CG GLU A 70 11.394 -2.823 -0.692 1.00 0.00 C ATOM 1006 CD GLU A 70 12.897 -2.533 -0.703 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.441 -2.403 -1.821 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.465 -2.447 0.406 1.00 0.00 O ATOM 0 H GLU A 70 10.714 -4.559 1.130 1.00 0.00 H new ATOM 0 HA GLU A 70 9.001 -4.050 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.920 -4.877 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.023 -4.108 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.867 -2.051 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.020 -2.786 0.331 1.00 0.00 H new ATOM 1015 N GLY A 71 8.874 -5.955 -2.628 1.00 0.00 N ATOM 1016 CA GLY A 71 8.480 -7.120 -3.402 1.00 0.00 C ATOM 1017 C GLY A 71 7.128 -7.659 -2.931 1.00 0.00 C ATOM 1018 O GLY A 71 6.583 -8.587 -3.527 1.00 0.00 O ATOM 0 H GLY A 71 8.685 -5.060 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.423 -6.857 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.238 -7.897 -3.308 1.00 0.00 H new ATOM 1022 N MET A 72 6.624 -7.055 -1.864 1.00 0.00 N ATOM 1023 CA MET A 72 5.347 -7.462 -1.305 1.00 0.00 C ATOM 1024 C MET A 72 4.185 -6.831 -2.074 1.00 0.00 C ATOM 1025 O MET A 72 4.147 -5.616 -2.258 1.00 0.00 O ATOM 1026 CB MET A 72 5.275 -7.044 0.164 1.00 0.00 C ATOM 1027 CG MET A 72 5.986 -8.061 1.060 1.00 0.00 C ATOM 1028 SD MET A 72 4.801 -9.201 1.750 1.00 0.00 S ATOM 1029 CE MET A 72 4.823 -8.677 3.457 1.00 0.00 C ATOM 0 H MET A 72 7.078 -6.286 -1.372 1.00 0.00 H new ATOM 0 HA MET A 72 5.266 -8.546 -1.387 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.732 -6.062 0.289 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.233 -6.952 0.469 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.734 -8.606 0.483 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.515 -7.545 1.861 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.132 -9.291 4.035 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.830 -8.788 3.859 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.520 -7.632 3.521 1.00 0.00 H new ATOM 1039 N GLN A 73 3.266 -7.684 -2.502 1.00 0.00 N ATOM 1040 CA GLN A 73 2.107 -7.225 -3.247 1.00 0.00 C ATOM 1041 C GLN A 73 1.061 -6.643 -2.294 1.00 0.00 C ATOM 1042 O GLN A 73 0.426 -7.379 -1.540 1.00 0.00 O ATOM 1043 CB GLN A 73 1.514 -8.354 -4.090 1.00 0.00 C ATOM 1044 CG GLN A 73 0.267 -7.882 -4.842 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.629 -9.063 -5.216 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.173 -10.165 -5.471 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.927 -8.773 -5.234 1.00 0.00 N ATOM 0 H GLN A 73 3.301 -8.691 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 73 2.426 -6.438 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.259 -8.711 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.258 -9.196 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.291 -7.180 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.563 -7.346 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.242 -7.829 -5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.608 -9.495 -5.472 1.00 0.00 H new ATOM 1056 N VAL A 74 0.914 -5.327 -2.359 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.045 -4.639 -1.511 1.00 0.00 C ATOM 1058 C VAL A 74 -1.463 -4.956 -1.991 1.00 0.00 C ATOM 1059 O VAL A 74 -1.812 -4.674 -3.136 1.00 0.00 O ATOM 1060 CB VAL A 74 0.259 -3.140 -1.490 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.448 -2.454 -0.318 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.766 -2.886 -1.444 1.00 0.00 C ATOM 0 H VAL A 74 1.443 -4.720 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 74 0.034 -4.988 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.125 -2.708 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.216 -1.389 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.525 -2.591 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.107 -2.893 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.954 -1.812 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.184 -3.339 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.236 -3.325 -2.324 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.242 -5.536 -1.091 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.614 -5.894 -1.408 1.00 0.00 C ATOM 1074 C LEU A 75 -4.485 -4.638 -1.372 1.00 0.00 C ATOM 1075 O LEU A 75 -5.182 -4.333 -2.339 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.105 -7.010 -0.481 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.261 -8.285 -0.463 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.629 -9.168 0.731 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.375 -9.038 -1.789 1.00 0.00 C ATOM 0 H LEU A 75 -1.949 -5.767 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.678 -6.299 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.155 -6.616 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.122 -7.275 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.215 -8.001 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.015 -10.068 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.454 -8.620 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.681 -9.446 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.765 -9.940 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.416 -9.311 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.026 -8.400 -2.601 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.419 -3.942 -0.247 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.192 -2.724 -0.072 1.00 0.00 C ATOM 1093 C GLU A 76 -4.388 -1.692 0.721 1.00 0.00 C ATOM 1094 O GLU A 76 -3.460 -2.047 1.446 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.530 -3.018 0.610 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.629 -3.270 -0.424 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.519 -4.441 -0.002 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.263 -4.261 0.987 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -8.437 -5.489 -0.678 1.00 0.00 O ATOM 0 H GLU A 76 -3.841 -4.199 0.554 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.406 -2.309 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.428 -3.889 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.810 -2.179 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.235 -2.372 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.179 -3.481 -1.394 1.00 0.00 H new ATOM 1106 N TRP A 77 -4.772 -0.435 0.556 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.099 0.651 1.247 1.00 0.00 C ATOM 1108 C TRP A 77 -5.168 1.571 1.839 1.00 0.00 C ATOM 1109 O TRP A 77 -6.134 1.921 1.162 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.133 1.381 0.311 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.504 2.636 0.920 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -2.794 3.917 0.654 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.462 2.676 1.917 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.017 4.777 1.402 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.181 4.000 2.195 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.778 1.632 2.563 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.212 4.399 3.123 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.187 2.047 3.488 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.482 3.374 3.779 1.00 0.00 C ATOM 0 H TRP A 77 -5.542 -0.144 -0.047 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.483 0.267 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.339 0.694 0.018 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.665 1.659 -0.599 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -3.542 4.236 -0.057 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.050 5.796 1.378 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.981 0.591 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.010 5.441 3.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.741 1.283 4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.243 3.614 4.507 1.00 0.00 H new ATOM 1130 N ASN A 78 -4.960 1.936 3.096 1.00 0.00 N ATOM 1131 CA ASN A 78 -5.894 2.808 3.786 1.00 0.00 C ATOM 1132 C ASN A 78 -7.325 2.358 3.484 1.00 0.00 C ATOM 1133 O ASN A 78 -8.247 3.171 3.481 1.00 0.00 O ATOM 1134 CB ASN A 78 -5.745 4.257 3.317 1.00 0.00 C ATOM 1135 CG ASN A 78 -6.206 4.414 1.867 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -7.271 3.967 1.476 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.346 5.072 1.094 1.00 0.00 N ATOM 0 H ASN A 78 -4.158 1.643 3.654 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.682 2.751 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.330 4.913 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -4.704 4.567 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.562 5.228 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.471 5.420 1.486 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.464 1.064 3.234 1.00 0.00 N ATOM 1145 CA GLY A 79 -8.766 0.496 2.931 1.00 0.00 C ATOM 1146 C GLY A 79 -9.049 0.544 1.427 1.00 0.00 C ATOM 1147 O GLY A 79 -9.683 -0.358 0.882 1.00 0.00 O ATOM 0 H GLY A 79 -6.696 0.393 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.807 -0.536 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.540 1.044 3.468 1.00 0.00 H new ATOM 1151 N ILE A 80 -8.562 1.605 0.800 1.00 0.00 N ATOM 1152 CA ILE A 80 -8.754 1.782 -0.629 1.00 0.00 C ATOM 1153 C ILE A 80 -7.942 0.728 -1.383 1.00 0.00 C ATOM 1154 O ILE A 80 -6.741 0.586 -1.157 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.428 3.219 -1.039 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.414 4.206 -0.411 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.374 3.356 -2.563 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -8.706 5.496 0.008 1.00 0.00 C ATOM 0 H ILE A 80 -8.035 2.350 1.255 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.800 1.629 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.437 3.466 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.207 4.437 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.889 3.749 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.141 4.387 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.603 2.696 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.340 3.082 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.429 6.180 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.930 5.265 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.253 5.963 -0.867 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.647 -0.004 -2.286 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.003 -1.041 -3.075 1.00 0.00 C ATOM 1172 C PRO A 81 -7.144 -0.432 -4.186 1.00 0.00 C ATOM 1173 O PRO A 81 -7.448 0.649 -4.688 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.143 -1.895 -3.606 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.395 -1.043 -3.483 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.070 0.136 -2.581 1.00 0.00 C ATOM 0 HA PRO A 81 -7.309 -1.645 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.966 -2.182 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.240 -2.817 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.718 -0.695 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.215 -1.628 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.280 1.084 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.667 0.114 -1.670 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.089 -1.153 -4.537 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.186 -0.697 -5.578 1.00 0.00 C ATOM 1186 C LEU A 82 -5.329 -1.602 -6.804 1.00 0.00 C ATOM 1187 O LEU A 82 -5.047 -1.183 -7.926 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.754 -0.608 -5.045 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.598 -0.017 -3.642 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.126 0.017 -3.223 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.250 1.364 -3.553 1.00 0.00 C ATOM 0 H LEU A 82 -5.840 -2.049 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.448 0.313 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.324 -1.609 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.166 -0.007 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.120 -0.665 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.042 0.441 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.724 -0.996 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.562 0.630 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.125 1.761 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.778 2.036 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.313 1.280 -3.780 1.00 0.00 H new ATOM 1203 N THR A 83 -5.768 -2.825 -6.548 1.00 0.00 N ATOM 1204 CA THR A 83 -5.952 -3.793 -7.617 1.00 0.00 C ATOM 1205 C THR A 83 -7.016 -3.303 -8.602 1.00 0.00 C ATOM 1206 O THR A 83 -7.988 -2.665 -8.204 1.00 0.00 O ATOM 1207 CB THR A 83 -6.291 -5.142 -6.980 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.101 -5.506 -6.285 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.468 -6.252 -8.019 1.00 0.00 C ATOM 0 H THR A 83 -6.002 -3.168 -5.616 1.00 0.00 H new ATOM 0 HA THR A 83 -5.041 -3.913 -8.203 1.00 0.00 H new ATOM 0 HB THR A 83 -7.203 -5.046 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.233 -6.369 -5.840 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.707 -7.188 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.279 -5.989 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.544 -6.371 -8.585 1.00 0.00 H new ATOM 1217 N SER A 84 -6.794 -3.621 -9.870 1.00 0.00 N ATOM 1218 CA SER A 84 -7.721 -3.221 -10.915 1.00 0.00 C ATOM 1219 C SER A 84 -7.646 -1.708 -11.130 1.00 0.00 C ATOM 1220 O SER A 84 -8.632 -1.082 -11.516 1.00 0.00 O ATOM 1221 CB SER A 84 -9.153 -3.637 -10.570 1.00 0.00 C ATOM 1222 OG SER A 84 -9.982 -3.706 -11.726 1.00 0.00 O ATOM 0 H SER A 84 -5.986 -4.151 -10.197 1.00 0.00 H new ATOM 0 HA SER A 84 -7.436 -3.728 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.139 -4.608 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.577 -2.925 -9.862 1.00 0.00 H new ATOM 0 HG SER A 84 -9.957 -2.848 -12.198 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.466 -1.164 -10.872 1.00 0.00 N ATOM 1229 CA LYS A 85 -6.249 0.263 -11.033 1.00 0.00 C ATOM 1230 C LYS A 85 -4.971 0.492 -11.843 1.00 0.00 C ATOM 1231 O LYS A 85 -4.365 -0.458 -12.334 1.00 0.00 O ATOM 1232 CB LYS A 85 -6.247 0.963 -9.671 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.371 0.429 -8.781 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.663 1.221 -8.996 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.065 1.970 -7.724 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.372 2.641 -7.909 1.00 0.00 N ATOM 0 H LYS A 85 -5.650 -1.686 -10.553 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.069 0.711 -11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.286 0.810 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.367 2.037 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.545 -0.624 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.072 0.491 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.527 1.930 -9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.464 0.544 -9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.122 1.274 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.303 2.708 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.630 3.145 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.306 3.320 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.099 1.930 -8.127 1.00 0.00 H new ATOM 1250 N THR A 86 -4.601 1.759 -11.957 1.00 0.00 N ATOM 1251 CA THR A 86 -3.406 2.126 -12.699 1.00 0.00 C ATOM 1252 C THR A 86 -2.366 2.747 -11.765 1.00 0.00 C ATOM 1253 O THR A 86 -2.719 3.460 -10.827 1.00 0.00 O ATOM 1254 CB THR A 86 -3.825 3.051 -13.844 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.848 3.865 -13.275 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.531 2.301 -14.974 1.00 0.00 C ATOM 0 H THR A 86 -5.107 2.544 -11.548 1.00 0.00 H new ATOM 0 HA THR A 86 -2.925 1.249 -13.131 1.00 0.00 H new ATOM 0 HB THR A 86 -2.946 3.560 -14.240 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.864 4.734 -13.727 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.807 3.004 -15.760 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.861 1.544 -15.382 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.429 1.820 -14.586 1.00 0.00 H new ATOM 1264 N TYR A 87 -1.107 2.452 -12.053 1.00 0.00 N ATOM 1265 CA TYR A 87 -0.014 2.974 -11.249 1.00 0.00 C ATOM 1266 C TYR A 87 -0.300 4.407 -10.798 1.00 0.00 C ATOM 1267 O TYR A 87 -0.264 4.706 -9.605 1.00 0.00 O ATOM 1268 CB TYR A 87 1.215 2.973 -12.160 1.00 0.00 C ATOM 1269 CG TYR A 87 2.526 3.282 -11.435 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.914 4.592 -11.236 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.322 2.251 -10.978 1.00 0.00 C ATOM 1272 CE1 TYR A 87 4.148 4.882 -10.553 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.556 2.541 -10.295 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.908 3.843 -10.117 1.00 0.00 C ATOM 1275 OH TYR A 87 6.073 4.118 -9.472 1.00 0.00 O ATOM 0 H TYR A 87 -0.819 1.859 -12.831 1.00 0.00 H new ATOM 0 HA TYR A 87 0.128 2.369 -10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.298 1.998 -12.640 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.068 3.707 -12.952 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.292 5.399 -11.593 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.019 1.226 -11.133 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.463 5.902 -10.391 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.187 1.743 -9.932 1.00 0.00 H new ATOM 0 HH TYR A 87 6.511 3.280 -9.216 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.579 5.256 -11.776 1.00 0.00 N ATOM 1286 CA GLU A 88 -0.870 6.652 -11.495 1.00 0.00 C ATOM 1287 C GLU A 88 -1.990 6.761 -10.457 1.00 0.00 C ATOM 1288 O GLU A 88 -1.810 7.378 -9.408 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.235 7.405 -12.776 1.00 0.00 C ATOM 1290 CG GLU A 88 0.006 8.033 -13.415 1.00 0.00 C ATOM 1291 CD GLU A 88 -0.261 9.483 -13.822 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -0.227 10.342 -12.915 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.494 9.699 -15.031 1.00 0.00 O ATOM 0 H GLU A 88 -0.610 5.004 -12.764 1.00 0.00 H new ATOM 0 HA GLU A 88 0.027 7.115 -11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.706 6.721 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.965 8.182 -12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.839 7.996 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.301 7.454 -14.290 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.120 6.154 -10.787 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.269 6.176 -9.897 1.00 0.00 C ATOM 1302 C GLU A 89 -3.865 5.699 -8.499 1.00 0.00 C ATOM 1303 O GLU A 89 -4.017 6.431 -7.523 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.412 5.328 -10.457 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.130 6.058 -11.594 1.00 0.00 C ATOM 1306 CD GLU A 89 -5.144 6.878 -12.429 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -4.878 8.029 -12.023 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -4.679 6.333 -13.453 1.00 0.00 O ATOM 0 H GLU A 89 -3.265 5.644 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.627 7.203 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.020 4.378 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.122 5.098 -9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.638 5.335 -12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.897 6.714 -11.182 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.360 4.475 -8.450 1.00 0.00 N ATOM 1316 CA VAL A 90 -2.935 3.892 -7.188 1.00 0.00 C ATOM 1317 C VAL A 90 -2.068 4.901 -6.432 1.00 0.00 C ATOM 1318 O VAL A 90 -2.323 5.192 -5.265 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.222 2.562 -7.440 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.668 1.982 -6.138 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -3.154 1.565 -8.132 1.00 0.00 C ATOM 0 H VAL A 90 -3.236 3.871 -9.263 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.798 3.669 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.380 2.753 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.166 1.037 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.956 2.683 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.486 1.813 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.624 0.628 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.024 1.382 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.479 1.974 -9.088 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.060 5.406 -7.129 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.154 6.376 -6.538 1.00 0.00 C ATOM 1333 C GLN A 91 -0.940 7.433 -5.761 1.00 0.00 C ATOM 1334 O GLN A 91 -0.563 7.801 -4.650 1.00 0.00 O ATOM 1335 CB GLN A 91 0.727 7.025 -7.607 1.00 0.00 C ATOM 1336 CG GLN A 91 2.162 7.201 -7.103 1.00 0.00 C ATOM 1337 CD GLN A 91 2.586 8.670 -7.158 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.876 9.565 -6.732 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.782 8.866 -7.706 1.00 0.00 N ATOM 0 H GLN A 91 -0.851 5.162 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 91 0.501 5.854 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.727 6.409 -8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.314 7.995 -7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.239 6.835 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.840 6.600 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.325 8.071 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.156 9.811 -7.789 1.00 0.00 H new ATOM 1348 N SER A 92 -2.020 7.892 -6.375 1.00 0.00 N ATOM 1349 CA SER A 92 -2.863 8.899 -5.755 1.00 0.00 C ATOM 1350 C SER A 92 -3.458 8.355 -4.455 1.00 0.00 C ATOM 1351 O SER A 92 -3.645 9.101 -3.494 1.00 0.00 O ATOM 1352 CB SER A 92 -3.979 9.345 -6.703 1.00 0.00 C ATOM 1353 OG SER A 92 -4.237 10.742 -6.605 1.00 0.00 O ATOM 0 H SER A 92 -2.331 7.585 -7.297 1.00 0.00 H new ATOM 0 HA SER A 92 -2.246 9.769 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.703 9.098 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.890 8.791 -6.476 1.00 0.00 H new ATOM 0 HG SER A 92 -4.954 10.987 -7.227 1.00 0.00 H new ATOM 1359 N ILE A 93 -3.739 7.061 -4.466 1.00 0.00 N ATOM 1360 CA ILE A 93 -4.308 6.408 -3.300 1.00 0.00 C ATOM 1361 C ILE A 93 -3.266 6.374 -2.179 1.00 0.00 C ATOM 1362 O ILE A 93 -3.611 6.470 -1.003 1.00 0.00 O ATOM 1363 CB ILE A 93 -4.858 5.029 -3.671 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.146 5.154 -4.486 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.049 4.161 -2.426 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -6.547 3.805 -5.089 1.00 0.00 C ATOM 0 H ILE A 93 -3.583 6.446 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.161 6.975 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.125 4.528 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.949 5.525 -3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.007 5.885 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.441 3.187 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.091 4.031 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.752 4.646 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.466 3.922 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.752 3.449 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.709 3.083 -4.289 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.013 6.236 -2.586 1.00 0.00 N ATOM 1379 CA ILE A 94 -0.919 6.189 -1.631 1.00 0.00 C ATOM 1380 C ILE A 94 -0.488 7.614 -1.284 1.00 0.00 C ATOM 1381 O ILE A 94 -0.480 7.997 -0.114 1.00 0.00 O ATOM 1382 CB ILE A 94 0.219 5.315 -2.165 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -0.293 4.330 -3.216 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.948 4.607 -1.022 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -1.563 3.625 -2.736 1.00 0.00 C ATOM 0 H ILE A 94 -1.731 6.155 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.244 5.720 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 94 0.945 5.962 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.497 4.859 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.478 3.590 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.752 3.993 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.367 5.349 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.246 3.974 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.905 2.930 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.350 3.077 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.340 4.365 -2.544 1.00 0.00 H new ATOM 1397 N SER A 95 -0.139 8.363 -2.321 1.00 0.00 N ATOM 1398 CA SER A 95 0.291 9.739 -2.138 1.00 0.00 C ATOM 1399 C SER A 95 -0.916 10.631 -1.843 1.00 0.00 C ATOM 1400 O SER A 95 -1.165 11.602 -2.556 1.00 0.00 O ATOM 1401 CB SER A 95 1.038 10.249 -3.373 1.00 0.00 C ATOM 1402 OG SER A 95 2.180 11.028 -3.022 1.00 0.00 O ATOM 0 H SER A 95 -0.145 8.043 -3.289 1.00 0.00 H new ATOM 0 HA SER A 95 0.975 9.774 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.351 9.402 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.363 10.849 -3.983 1.00 0.00 H new ATOM 0 HG SER A 95 2.631 11.334 -3.837 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.634 10.269 -0.790 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.809 11.025 -0.390 1.00 0.00 C ATOM 1410 C GLN A 96 -3.424 10.421 0.874 1.00 0.00 C ATOM 1411 O GLN A 96 -4.394 9.667 0.798 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.835 11.084 -1.525 1.00 0.00 C ATOM 1413 CG GLN A 96 -4.730 12.317 -1.389 1.00 0.00 C ATOM 1414 CD GLN A 96 -4.193 13.479 -2.228 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -4.155 13.433 -3.447 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -3.781 14.519 -1.509 1.00 0.00 N ATOM 0 H GLN A 96 -1.425 9.462 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.502 12.047 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.320 11.108 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.447 10.182 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.743 12.072 -1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.788 12.616 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.841 14.491 -0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.405 15.345 -1.975 1.00 0.00 H new ATOM 1425 N GLN A 97 -2.836 10.775 2.007 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.314 10.277 3.286 1.00 0.00 C ATOM 1427 C GLN A 97 -3.361 11.410 4.313 1.00 0.00 C ATOM 1428 O GLN A 97 -3.023 12.551 3.999 1.00 0.00 O ATOM 1429 CB GLN A 97 -2.442 9.122 3.785 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.686 7.856 2.961 1.00 0.00 C ATOM 1431 CD GLN A 97 -4.160 7.449 3.005 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -4.862 7.451 2.006 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -4.589 7.099 4.214 1.00 0.00 N ATOM 0 H GLN A 97 -2.033 11.401 2.066 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.325 9.894 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.391 9.403 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.659 8.925 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.383 8.026 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.069 7.043 3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.949 7.120 5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.558 6.810 4.347 1.00 0.00 H new ATOM 1442 N SER A 98 -3.785 11.057 5.517 1.00 0.00 N ATOM 1443 CA SER A 98 -3.883 12.031 6.592 1.00 0.00 C ATOM 1444 C SER A 98 -3.132 11.525 7.825 1.00 0.00 C ATOM 1445 O SER A 98 -3.720 11.370 8.893 1.00 0.00 O ATOM 1446 CB SER A 98 -5.343 12.322 6.940 1.00 0.00 C ATOM 1447 OG SER A 98 -6.010 11.170 7.450 1.00 0.00 O ATOM 0 H SER A 98 -4.065 10.110 5.773 1.00 0.00 H new ATOM 0 HA SER A 98 -3.427 12.962 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.387 13.123 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.863 12.679 6.051 1.00 0.00 H new ATOM 0 HG SER A 98 -5.549 10.855 8.255 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.843 11.284 7.636 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.006 10.799 8.720 1.00 0.00 C ATOM 1455 C GLY A 99 -0.835 9.281 8.645 1.00 0.00 C ATOM 1456 O GLY A 99 -0.107 8.776 7.792 1.00 0.00 O ATOM 0 H GLY A 99 -1.358 11.416 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.029 11.281 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.451 11.071 9.677 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.520 8.594 9.549 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.453 7.144 9.595 1.00 0.00 C ATOM 1462 C GLU A 100 -1.950 6.548 8.277 1.00 0.00 C ATOM 1463 O GLU A 100 -2.264 7.279 7.339 1.00 0.00 O ATOM 1464 CB GLU A 100 -2.250 6.597 10.780 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.960 7.394 12.053 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.237 8.031 12.605 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -4.108 7.256 13.055 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -3.312 9.278 12.565 1.00 0.00 O ATOM 0 H GLU A 100 -2.124 9.016 10.255 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.412 6.851 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.316 6.639 10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.999 5.548 10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.522 6.738 12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.225 8.170 11.841 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.006 5.224 8.247 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.460 4.521 7.059 1.00 0.00 C ATOM 1477 C ALA A 101 -2.444 3.014 7.326 1.00 0.00 C ATOM 1478 O ALA A 101 -1.647 2.531 8.129 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.582 4.911 5.868 1.00 0.00 C ATOM 0 H ALA A 101 -1.745 4.620 9.026 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.484 4.802 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.922 4.384 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.651 5.986 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.546 4.641 6.076 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.335 2.314 6.638 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.433 0.873 6.792 1.00 0.00 C ATOM 1487 C GLU A 102 -2.980 0.171 5.510 1.00 0.00 C ATOM 1488 O GLU A 102 -3.306 0.612 4.409 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.856 0.458 7.171 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.873 -0.286 8.508 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.302 -0.438 9.034 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.025 -1.289 8.473 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.637 0.302 9.985 1.00 0.00 O ATOM 0 H GLU A 102 -3.995 2.718 5.973 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.773 0.567 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.491 1.341 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.273 -0.179 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.420 -1.270 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.269 0.255 9.237 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.237 -0.910 5.696 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.737 -1.678 4.569 1.00 0.00 C ATOM 1502 C ILE A 103 -2.173 -3.137 4.716 1.00 0.00 C ATOM 1503 O ILE A 103 -2.348 -3.626 5.831 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.224 -1.499 4.429 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.226 -1.737 2.986 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.527 -2.394 5.417 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.397 -0.823 2.619 1.00 0.00 C ATOM 0 H ILE A 103 -1.969 -1.272 6.611 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.166 -1.310 3.637 1.00 0.00 H new ATOM 0 HB ILE A 103 0.022 -0.466 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.520 -2.779 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.607 -1.557 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.600 -2.248 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.237 -2.135 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.279 -3.438 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.697 -1.012 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.092 0.218 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.237 -1.023 3.284 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.337 -3.791 3.575 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.750 -5.183 3.563 1.00 0.00 C ATOM 1521 C CYS A 104 -1.868 -5.937 2.565 1.00 0.00 C ATOM 1522 O CYS A 104 -2.212 -6.050 1.389 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.237 -5.330 3.235 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.244 -4.474 4.501 1.00 0.00 S ATOM 0 H CYS A 104 -2.191 -3.382 2.652 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.621 -5.611 4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.444 -4.912 2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.507 -6.385 3.196 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.505 -4.603 4.212 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.748 -6.434 3.070 1.00 0.00 N ATOM 1531 CA VAL A 105 0.185 -7.173 2.238 1.00 0.00 C ATOM 1532 C VAL A 105 0.040 -8.670 2.524 1.00 0.00 C ATOM 1533 O VAL A 105 -0.416 -9.059 3.597 1.00 0.00 O ATOM 1534 CB VAL A 105 1.607 -6.656 2.461 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.865 -5.390 1.641 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.876 -6.412 3.947 1.00 0.00 C ATOM 0 H VAL A 105 -0.466 -6.339 4.046 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.039 -7.020 1.182 1.00 0.00 H new ATOM 0 HB VAL A 105 2.300 -7.424 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.883 -5.043 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.736 -5.610 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.160 -4.614 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.894 -6.045 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.172 -5.672 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.754 -7.345 4.497 1.00 0.00 H new ATOM 1546 N ARG A 106 0.438 -9.468 1.544 1.00 0.00 N ATOM 1547 CA ARG A 106 0.360 -10.912 1.676 1.00 0.00 C ATOM 1548 C ARG A 106 1.727 -11.486 2.053 1.00 0.00 C ATOM 1549 O ARG A 106 2.741 -11.130 1.453 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.117 -11.560 0.374 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.323 -13.065 0.555 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.484 -13.761 -0.799 1.00 0.00 C ATOM 1553 NE ARG A 106 -0.162 -15.200 -0.668 1.00 0.00 N ATOM 1554 CZ ARG A 106 -0.126 -16.058 -1.697 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -0.390 -15.628 -2.938 1.00 0.00 N ATOM 1556 NH2 ARG A 106 0.175 -17.347 -1.484 1.00 0.00 N ATOM 0 H ARG A 106 0.816 -9.141 0.655 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.360 -11.134 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.051 -11.097 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.614 -11.381 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.527 -13.491 1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.206 -13.244 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.505 -13.639 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.173 -13.298 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 106 0.045 -15.561 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.619 -14.647 -3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.362 -16.281 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.376 -17.674 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.203 -18.000 -2.267 1.00 0.00 H new ATOM 1570 N LEU A 107 1.712 -12.366 3.043 1.00 0.00 N ATOM 1571 CA LEU A 107 2.938 -12.994 3.506 1.00 0.00 C ATOM 1572 C LEU A 107 3.607 -13.720 2.338 1.00 0.00 C ATOM 1573 O LEU A 107 4.660 -13.300 1.862 1.00 0.00 O ATOM 1574 CB LEU A 107 2.658 -13.893 4.712 1.00 0.00 C ATOM 1575 CG LEU A 107 1.768 -13.295 5.802 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.647 -14.247 6.994 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.270 -11.912 6.222 1.00 0.00 C ATOM 0 H LEU A 107 0.870 -12.659 3.538 1.00 0.00 H new ATOM 0 HA LEU A 107 3.643 -12.240 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.193 -14.812 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.611 -14.172 5.161 1.00 0.00 H new ATOM 0 HG LEU A 107 0.767 -13.163 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.009 -13.798 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.210 -15.189 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.636 -14.433 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.619 -11.509 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.286 -11.995 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.263 -11.245 5.360 1.00 0.00 H new ATOM 1589 N ASP A 108 2.968 -14.799 1.910 1.00 0.00 N ATOM 1590 CA ASP A 108 3.487 -15.588 0.806 1.00 0.00 C ATOM 1591 C ASP A 108 3.373 -14.782 -0.490 1.00 0.00 C ATOM 1592 O ASP A 108 2.286 -14.657 -1.052 1.00 0.00 O ATOM 1593 CB ASP A 108 2.690 -16.883 0.631 1.00 0.00 C ATOM 1594 CG ASP A 108 3.457 -18.164 0.960 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.442 -18.056 1.723 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.042 -19.223 0.442 1.00 0.00 O ATOM 0 H ASP A 108 2.095 -15.145 2.308 1.00 0.00 H new ATOM 0 HA ASP A 108 4.526 -15.832 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.804 -16.835 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.342 -16.941 -0.400 1.00 0.00 H new ATOM 1601 N LEU A 109 4.509 -14.258 -0.926 1.00 0.00 N ATOM 1602 CA LEU A 109 4.549 -13.469 -2.145 1.00 0.00 C ATOM 1603 C LEU A 109 5.900 -12.758 -2.242 1.00 0.00 C ATOM 1604 O LEU A 109 6.578 -12.564 -1.234 1.00 0.00 O ATOM 1605 CB LEU A 109 3.350 -12.521 -2.210 1.00 0.00 C ATOM 1606 CG LEU A 109 2.315 -12.820 -3.297 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.161 -11.818 -3.248 1.00 0.00 C ATOM 1608 CD2 LEU A 109 2.972 -12.870 -4.679 1.00 0.00 C ATOM 0 H LEU A 109 5.408 -14.364 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 109 4.463 -14.114 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.847 -12.537 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.722 -11.507 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 109 1.892 -13.806 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.441 -12.054 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.671 -11.874 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.547 -10.810 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.215 -13.084 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.439 -11.909 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.730 -13.653 -4.693 1.00 0.00 H new ATOM 1620 N ASN A 110 6.252 -12.389 -3.465 1.00 0.00 N ATOM 1621 CA ASN A 110 7.510 -11.703 -3.707 1.00 0.00 C ATOM 1622 C ASN A 110 7.587 -11.294 -5.179 1.00 0.00 C ATOM 1623 O ASN A 110 7.769 -12.140 -6.054 1.00 0.00 O ATOM 1624 CB ASN A 110 8.701 -12.616 -3.407 1.00 0.00 C ATOM 1625 CG ASN A 110 9.846 -11.828 -2.768 1.00 0.00 C ATOM 1626 OD1 ASN A 110 9.921 -10.615 -2.850 1.00 0.00 O ATOM 1627 ND2 ASN A 110 10.734 -12.587 -2.130 1.00 0.00 N ATOM 0 H ASN A 110 5.688 -12.552 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 110 7.550 -10.831 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.390 -13.419 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.047 -13.084 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.537 -12.156 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.611 -13.599 -2.099 1.00 0.00 H new ATOM 1634 N MET A 111 7.447 -9.997 -5.409 1.00 0.00 N ATOM 1635 CA MET A 111 7.499 -9.465 -6.759 1.00 0.00 C ATOM 1636 C MET A 111 8.945 -9.257 -7.212 1.00 0.00 C ATOM 1637 O MET A 111 9.660 -8.423 -6.658 1.00 0.00 O ATOM 1638 CB MET A 111 6.751 -8.131 -6.812 1.00 0.00 C ATOM 1639 CG MET A 111 5.243 -8.342 -6.667 1.00 0.00 C ATOM 1640 SD MET A 111 4.377 -7.478 -7.968 1.00 0.00 S ATOM 1641 CE MET A 111 2.714 -7.533 -7.323 1.00 0.00 C ATOM 0 H MET A 111 7.297 -9.298 -4.681 1.00 0.00 H new ATOM 0 HA MET A 111 7.028 -10.183 -7.430 1.00 0.00 H new ATOM 0 HB2 MET A 111 7.109 -7.478 -6.016 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.962 -7.629 -7.756 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.011 -9.406 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.909 -7.981 -5.694 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.067 -6.901 -7.931 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.347 -8.559 -7.349 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.711 -7.173 -6.294 1.00 0.00 H new