USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 619 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 71 LYS NZ :NH3+ -139:sc= -0.0603 (180deg=-0.675) USER MOD Set 1.2: A 95 GLN : amide:sc= 0 K(o=-0.06,f=-1.5) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -168:sc= -0.452 (180deg=-0.667) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -116:sc= -0.298 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : A 41 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= -0.593 K(o=-0.59,f=-2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.115 (180deg=-0.803) USER MOD Single : A 57 CYS SG : rot 73:sc= 0.785 USER MOD Single : A 60 HIS : no HD1:sc= -0.688 K(o=-0.69,f=-2.2) USER MOD Single : A 72 TYR OH : rot 150:sc= -0.151 USER MOD Single : A 85 GLN : amide:sc= -0.339 K(o=-0.34,f=-1!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= -0.0399 (180deg=-0.552) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Single : A 96 LYS NZ :NH3+ -134:sc= -4.08! (180deg=-5.75!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.755 K(o=-0.75,f=-2.5!) USER MOD Single : A 101 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.057) USER MOD Single : A 102 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.420 -1.443 -6.996 1.00 0.00 N ATOM 109 CA HIS A 20 13.446 -0.029 -7.374 1.00 0.00 C ATOM 110 C HIS A 20 12.060 0.579 -7.218 1.00 0.00 C ATOM 111 O HIS A 20 11.921 1.730 -6.800 1.00 0.00 O ATOM 112 CB HIS A 20 13.929 0.124 -8.839 1.00 0.00 C ATOM 113 CG HIS A 20 14.032 1.590 -9.203 1.00 0.00 C ATOM 114 ND1 HIS A 20 15.002 2.410 -8.654 1.00 0.00 N ATOM 115 CD2 HIS A 20 13.268 2.393 -10.009 1.00 0.00 C ATOM 116 CE1 HIS A 20 14.800 3.649 -9.131 1.00 0.00 C ATOM 117 NE2 HIS A 20 13.756 3.695 -9.964 1.00 0.00 N ATOM 0 HA HIS A 20 14.139 0.496 -6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.899 -0.358 -8.963 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.235 -0.378 -9.513 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.418 2.066 -10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 20 15.407 4.504 -8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.395 4.510 -10.460 1.00 0.00 H new ATOM 125 N MET A 21 11.036 -0.199 -7.589 1.00 0.00 N ATOM 126 CA MET A 21 9.659 0.283 -7.521 1.00 0.00 C ATOM 127 C MET A 21 9.281 0.613 -6.079 1.00 0.00 C ATOM 128 O MET A 21 8.633 1.618 -5.813 1.00 0.00 O ATOM 129 CB MET A 21 8.680 -0.785 -8.110 1.00 0.00 C ATOM 130 CG MET A 21 7.322 -0.133 -8.501 1.00 0.00 C ATOM 131 SD MET A 21 7.566 0.926 -9.961 1.00 0.00 S ATOM 132 CE MET A 21 5.852 1.399 -10.210 1.00 0.00 C ATOM 0 H MET A 21 11.136 -1.153 -7.935 1.00 0.00 H new ATOM 0 HA MET A 21 9.580 1.193 -8.116 1.00 0.00 H new ATOM 0 HB2 MET A 21 9.129 -1.253 -8.986 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.512 -1.574 -7.377 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.583 -0.905 -8.716 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.935 0.456 -7.670 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.779 2.061 -11.073 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.250 0.507 -10.385 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.485 1.916 -9.324 1.00 0.00 H new ATOM 142 N ALA A 22 9.712 -0.246 -5.151 1.00 0.00 N ATOM 143 CA ALA A 22 9.427 -0.050 -3.725 1.00 0.00 C ATOM 144 C ALA A 22 10.012 1.283 -3.249 1.00 0.00 C ATOM 145 O ALA A 22 9.336 2.071 -2.584 1.00 0.00 O ATOM 146 CB ALA A 22 10.025 -1.216 -2.910 1.00 0.00 C ATOM 0 H ALA A 22 10.258 -1.082 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 22 8.347 -0.029 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.812 -1.067 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.583 -2.156 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.104 -1.250 -3.061 1.00 0.00 H new ATOM 152 N SER A 23 11.275 1.534 -3.626 1.00 0.00 N ATOM 153 CA SER A 23 11.958 2.784 -3.260 1.00 0.00 C ATOM 154 C SER A 23 11.236 3.971 -3.876 1.00 0.00 C ATOM 155 O SER A 23 11.030 4.995 -3.230 1.00 0.00 O ATOM 156 CB SER A 23 13.413 2.756 -3.743 1.00 0.00 C ATOM 157 OG SER A 23 14.036 3.985 -3.394 1.00 0.00 O ATOM 0 H SER A 23 11.841 0.892 -4.181 1.00 0.00 H new ATOM 0 HA SER A 23 11.947 2.882 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.945 1.921 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.449 2.608 -4.822 1.00 0.00 H new ATOM 0 HG SER A 23 14.968 3.977 -3.697 1.00 0.00 H new ATOM 163 N LYS A 24 10.869 3.828 -5.147 1.00 0.00 N ATOM 164 CA LYS A 24 10.174 4.899 -5.865 1.00 0.00 C ATOM 165 C LYS A 24 8.824 5.201 -5.208 1.00 0.00 C ATOM 166 O LYS A 24 8.472 6.351 -5.026 1.00 0.00 O ATOM 167 CB LYS A 24 9.955 4.496 -7.342 1.00 0.00 C ATOM 168 CG LYS A 24 9.348 5.687 -8.146 1.00 0.00 C ATOM 169 CD LYS A 24 9.167 5.306 -9.634 1.00 0.00 C ATOM 170 CE LYS A 24 8.594 6.512 -10.415 1.00 0.00 C ATOM 171 NZ LYS A 24 7.285 6.896 -9.812 1.00 0.00 N ATOM 0 H LYS A 24 11.039 2.988 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 24 10.793 5.795 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.903 4.194 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.288 3.635 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.386 5.969 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.000 6.557 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.124 5.005 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.496 4.452 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.288 7.351 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.464 6.254 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.795 7.563 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.699 6.046 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.447 7.346 -8.889 1.00 0.00 H new ATOM 185 N ARG A 25 8.075 4.150 -4.884 1.00 0.00 N ATOM 186 CA ARG A 25 6.747 4.291 -4.265 1.00 0.00 C ATOM 187 C ARG A 25 6.850 4.979 -2.917 1.00 0.00 C ATOM 188 O ARG A 25 5.921 5.673 -2.496 1.00 0.00 O ATOM 189 CB ARG A 25 6.115 2.891 -4.104 1.00 0.00 C ATOM 190 CG ARG A 25 5.616 2.359 -5.484 1.00 0.00 C ATOM 191 CD ARG A 25 5.221 0.883 -5.347 1.00 0.00 C ATOM 192 NE ARG A 25 4.221 0.729 -4.279 1.00 0.00 N ATOM 193 CZ ARG A 25 3.843 -0.478 -3.841 1.00 0.00 C ATOM 194 NH1 ARG A 25 4.379 -1.554 -4.355 1.00 0.00 N ATOM 195 NH2 ARG A 25 2.961 -0.582 -2.893 1.00 0.00 N ATOM 0 H ARG A 25 8.362 3.183 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 25 6.118 4.907 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.846 2.201 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.282 2.939 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.763 2.945 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.399 2.469 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.817 0.517 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.102 0.281 -5.122 1.00 0.00 H new ATOM 0 HE ARG A 25 3.806 1.562 -3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.084 -1.473 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.093 -2.475 -4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.554 0.258 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.675 -1.503 -2.561 1.00 0.00 H new ATOM 209 N ASP A 26 7.972 4.761 -2.232 1.00 0.00 N ATOM 210 CA ASP A 26 8.187 5.348 -0.907 1.00 0.00 C ATOM 211 C ASP A 26 8.091 6.871 -0.959 1.00 0.00 C ATOM 212 O ASP A 26 7.969 7.519 0.076 1.00 0.00 O ATOM 213 CB ASP A 26 9.575 4.940 -0.358 1.00 0.00 C ATOM 214 CG ASP A 26 9.700 5.337 1.120 1.00 0.00 C ATOM 215 OD1 ASP A 26 8.854 4.913 1.890 1.00 0.00 O ATOM 216 OD2 ASP A 26 10.616 6.076 1.452 1.00 0.00 O ATOM 0 H ASP A 26 8.744 4.185 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 26 7.408 4.970 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.715 3.864 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.360 5.423 -0.939 1.00 0.00 H new ATOM 221 N LYS A 27 8.171 7.427 -2.168 1.00 0.00 N ATOM 222 CA LYS A 27 8.122 8.875 -2.352 1.00 0.00 C ATOM 223 C LYS A 27 6.907 9.487 -1.667 1.00 0.00 C ATOM 224 O LYS A 27 6.939 10.617 -1.208 1.00 0.00 O ATOM 225 CB LYS A 27 8.107 9.190 -3.869 1.00 0.00 C ATOM 226 CG LYS A 27 6.764 8.717 -4.520 1.00 0.00 C ATOM 227 CD LYS A 27 6.806 8.896 -6.055 1.00 0.00 C ATOM 228 CE LYS A 27 5.457 8.465 -6.668 1.00 0.00 C ATOM 229 NZ LYS A 27 5.522 8.636 -8.128 1.00 0.00 N ATOM 0 H LYS A 27 8.270 6.896 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 27 9.006 9.316 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.234 10.261 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.947 8.695 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.585 7.670 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.933 9.287 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.013 9.937 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.615 8.300 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.245 7.425 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.646 9.064 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.833 9.356 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.479 8.940 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.300 7.733 -8.594 1.00 0.00 H new ATOM 243 N ILE A 28 5.821 8.711 -1.636 1.00 0.00 N ATOM 244 CA ILE A 28 4.564 9.166 -1.045 1.00 0.00 C ATOM 245 C ILE A 28 4.759 9.469 0.430 1.00 0.00 C ATOM 246 O ILE A 28 4.293 10.486 0.923 1.00 0.00 O ATOM 247 CB ILE A 28 3.466 8.066 -1.196 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.265 7.712 -2.714 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.104 8.565 -0.576 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.422 6.426 -2.869 1.00 0.00 C ATOM 0 H ILE A 28 5.789 7.764 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 28 4.248 10.070 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 28 3.789 7.173 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.771 8.540 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.235 7.577 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.347 7.789 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.245 8.785 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.778 9.467 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.295 6.199 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.931 5.596 -2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.444 6.574 -2.410 1.00 0.00 H new ATOM 262 N ALA A 29 5.429 8.554 1.127 1.00 0.00 N ATOM 263 CA ALA A 29 5.654 8.701 2.566 1.00 0.00 C ATOM 264 C ALA A 29 6.249 10.066 2.888 1.00 0.00 C ATOM 265 O ALA A 29 5.882 10.698 3.877 1.00 0.00 O ATOM 266 CB ALA A 29 6.609 7.595 3.065 1.00 0.00 C ATOM 0 H ALA A 29 5.825 7.706 0.722 1.00 0.00 H new ATOM 0 HA ALA A 29 4.692 8.612 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.772 7.711 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.168 6.618 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.562 7.675 2.543 1.00 0.00 H new ATOM 272 N ASP A 30 7.188 10.498 2.044 1.00 0.00 N ATOM 273 CA ASP A 30 7.870 11.775 2.239 1.00 0.00 C ATOM 274 C ASP A 30 7.097 12.946 1.645 1.00 0.00 C ATOM 275 O ASP A 30 7.004 13.997 2.262 1.00 0.00 O ATOM 276 CB ASP A 30 9.275 11.713 1.587 1.00 0.00 C ATOM 277 CG ASP A 30 10.156 12.859 2.119 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.635 13.946 2.311 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.340 12.628 2.323 1.00 0.00 O ATOM 0 H ASP A 30 7.492 9.981 1.219 1.00 0.00 H new ATOM 0 HA ASP A 30 7.947 11.941 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.743 10.753 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.185 11.786 0.503 1.00 0.00 H new ATOM 284 N ILE A 31 6.551 12.752 0.446 1.00 0.00 N ATOM 285 CA ILE A 31 5.797 13.813 -0.231 1.00 0.00 C ATOM 286 C ILE A 31 4.494 14.099 0.479 1.00 0.00 C ATOM 287 O ILE A 31 4.124 15.262 0.652 1.00 0.00 O ATOM 288 CB ILE A 31 5.511 13.391 -1.711 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.854 13.385 -2.524 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.498 14.372 -2.411 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.670 12.719 -3.901 1.00 0.00 C ATOM 0 H ILE A 31 6.614 11.878 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 31 6.398 14.722 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 31 5.069 12.395 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.206 14.408 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.621 12.854 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.325 14.046 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.554 14.370 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.912 15.380 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.617 12.730 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.342 11.688 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.921 13.266 -4.473 1.00 0.00 H new ATOM 303 N GLN A 32 3.772 13.042 0.845 1.00 0.00 N ATOM 304 CA GLN A 32 2.464 13.209 1.473 1.00 0.00 C ATOM 305 C GLN A 32 2.569 14.133 2.681 1.00 0.00 C ATOM 306 O GLN A 32 1.905 15.167 2.744 1.00 0.00 O ATOM 307 CB GLN A 32 1.904 11.829 1.896 1.00 0.00 C ATOM 308 CG GLN A 32 0.447 11.965 2.428 1.00 0.00 C ATOM 309 CD GLN A 32 -0.103 10.602 2.833 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.474 9.931 3.686 1.00 0.00 O ATOM 311 NE2 GLN A 32 -1.190 10.163 2.271 1.00 0.00 N ATOM 0 H GLN A 32 4.066 12.073 0.720 1.00 0.00 H new ATOM 0 HA GLN A 32 1.782 13.661 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.924 11.147 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.539 11.395 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.427 12.640 3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.187 12.406 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.662 10.727 1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.571 9.255 2.537 1.00 0.00 H new ATOM 320 N GLU A 33 3.412 13.725 3.632 1.00 0.00 N ATOM 321 CA GLU A 33 3.617 14.488 4.861 1.00 0.00 C ATOM 322 C GLU A 33 4.156 15.865 4.555 1.00 0.00 C ATOM 323 O GLU A 33 3.669 16.846 5.094 1.00 0.00 O ATOM 324 CB GLU A 33 4.618 13.765 5.775 1.00 0.00 C ATOM 325 CG GLU A 33 4.076 12.372 6.175 1.00 0.00 C ATOM 326 CD GLU A 33 5.066 11.641 7.091 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.075 12.230 7.461 1.00 0.00 O ATOM 328 OE2 GLU A 33 4.796 10.501 7.414 1.00 0.00 O ATOM 0 H GLU A 33 3.964 12.869 3.573 1.00 0.00 H new ATOM 0 HA GLU A 33 2.652 14.578 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.574 13.657 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.800 14.362 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.118 12.482 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.895 11.777 5.280 1.00 0.00 H new ATOM 335 N ALA A 34 5.238 15.912 3.754 1.00 0.00 N ATOM 336 CA ALA A 34 5.920 17.174 3.473 1.00 0.00 C ATOM 337 C ALA A 34 4.898 18.257 3.204 1.00 0.00 C ATOM 338 O ALA A 34 4.859 19.181 3.960 1.00 0.00 O ATOM 339 CB ALA A 34 6.817 17.016 2.224 1.00 0.00 C ATOM 0 H ALA A 34 5.649 15.097 3.299 1.00 0.00 H new ATOM 0 HA ALA A 34 6.530 17.445 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.323 17.959 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.558 16.238 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.202 16.740 1.367 1.00 0.00 H new ATOM 345 N LEU A 35 4.063 18.098 2.184 1.00 0.00 N ATOM 346 CA LEU A 35 3.020 19.092 1.869 1.00 0.00 C ATOM 347 C LEU A 35 1.933 19.136 2.945 1.00 0.00 C ATOM 348 O LEU A 35 1.637 20.185 3.506 1.00 0.00 O ATOM 349 CB LEU A 35 2.389 18.710 0.527 1.00 0.00 C ATOM 350 CG LEU A 35 3.489 18.676 -0.615 1.00 0.00 C ATOM 351 CD1 LEU A 35 3.126 17.589 -1.649 1.00 0.00 C ATOM 352 CD2 LEU A 35 3.625 20.079 -1.292 1.00 0.00 C ATOM 0 H LEU A 35 4.080 17.294 1.556 1.00 0.00 H new ATOM 0 HA LEU A 35 3.479 20.080 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.911 17.734 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.610 19.427 0.268 1.00 0.00 H new ATOM 0 HG LEU A 35 4.456 18.430 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.882 17.566 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.085 16.618 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.154 17.815 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.385 20.034 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.669 20.365 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.916 20.817 -0.544 1.00 0.00 H new ATOM 364 N ALA A 36 1.294 17.986 3.178 1.00 0.00 N ATOM 365 CA ALA A 36 0.187 17.904 4.148 1.00 0.00 C ATOM 366 C ALA A 36 0.595 18.587 5.457 1.00 0.00 C ATOM 367 O ALA A 36 -0.003 19.580 5.876 1.00 0.00 O ATOM 368 CB ALA A 36 -0.161 16.427 4.401 1.00 0.00 C ATOM 0 H ALA A 36 1.518 17.105 2.716 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.690 18.412 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.979 16.364 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.462 15.959 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.712 15.911 4.800 1.00 0.00 H new ATOM 374 N HIS A 37 1.648 18.054 6.063 1.00 0.00 N ATOM 375 CA HIS A 37 2.201 18.590 7.304 1.00 0.00 C ATOM 376 C HIS A 37 3.028 19.834 7.017 1.00 0.00 C ATOM 377 O HIS A 37 3.915 20.177 7.814 1.00 0.00 O ATOM 378 CB HIS A 37 3.070 17.519 8.027 1.00 0.00 C ATOM 379 CG HIS A 37 3.407 17.994 9.424 1.00 0.00 C ATOM 380 ND1 HIS A 37 4.641 18.535 9.749 1.00 0.00 N ATOM 381 CD2 HIS A 37 2.648 18.072 10.560 1.00 0.00 C ATOM 382 CE1 HIS A 37 4.585 18.911 11.039 1.00 0.00 C ATOM 383 NE2 HIS A 37 3.392 18.651 11.581 1.00 0.00 N ATOM 0 H HIS A 37 2.145 17.237 5.709 1.00 0.00 H new ATOM 0 HA HIS A 37 1.374 18.861 7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.532 16.572 8.074 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.985 17.338 7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.626 17.735 10.649 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.405 19.368 11.572 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.092 18.837 12.538 1.00 0.00 H new ATOM 391 N ALA A 38 2.762 20.531 5.882 1.00 0.00 N ATOM 392 CA ALA A 38 3.527 21.753 5.564 1.00 0.00 C ATOM 393 C ALA A 38 2.696 22.974 5.772 1.00 0.00 C ATOM 394 O ALA A 38 3.107 23.810 6.567 1.00 0.00 O ATOM 395 CB ALA A 38 3.974 21.782 4.063 1.00 0.00 C ATOM 0 H ALA A 38 2.050 20.276 5.198 1.00 0.00 H new ATOM 0 HA ALA A 38 4.393 21.743 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.534 22.696 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.605 20.918 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.094 21.752 3.421 1.00 0.00 H new ATOM 401 N ASP A 39 1.513 23.049 5.068 1.00 0.00 N ATOM 402 CA ASP A 39 0.567 24.223 5.119 1.00 0.00 C ATOM 403 C ASP A 39 1.160 25.402 5.924 1.00 0.00 C ATOM 404 O ASP A 39 0.510 25.996 6.775 1.00 0.00 O ATOM 405 CB ASP A 39 -0.795 23.797 5.724 1.00 0.00 C ATOM 406 CG ASP A 39 -1.434 22.679 4.895 1.00 0.00 C ATOM 407 OD1 ASP A 39 -1.278 22.703 3.682 1.00 0.00 O ATOM 408 OD2 ASP A 39 -2.079 21.829 5.480 1.00 0.00 O ATOM 0 H ASP A 39 1.191 22.301 4.453 1.00 0.00 H new ATOM 0 HA ASP A 39 0.413 24.562 4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.652 23.458 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.465 24.656 5.762 1.00 0.00 H new ATOM 413 N ALA A 40 2.465 25.652 5.686 1.00 0.00 N ATOM 414 CA ALA A 40 3.217 26.646 6.426 1.00 0.00 C ATOM 415 C ALA A 40 2.593 27.998 6.239 1.00 0.00 C ATOM 416 O ALA A 40 2.289 28.696 7.211 1.00 0.00 O ATOM 417 CB ALA A 40 4.693 26.663 5.946 1.00 0.00 C ATOM 0 H ALA A 40 3.011 25.164 4.975 1.00 0.00 H new ATOM 0 HA ALA A 40 3.199 26.392 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.250 27.413 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.140 25.682 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.727 26.906 4.884 1.00 0.00 H new ATOM 423 N ASN A 41 2.395 28.364 4.968 1.00 0.00 N ATOM 424 CA ASN A 41 1.806 29.657 4.657 1.00 0.00 C ATOM 425 C ASN A 41 0.292 29.595 4.786 1.00 0.00 C ATOM 426 O ASN A 41 -0.353 30.639 4.871 1.00 0.00 O ATOM 427 CB ASN A 41 2.189 30.038 3.205 1.00 0.00 C ATOM 428 CG ASN A 41 3.707 30.013 3.048 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.227 29.445 2.087 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.451 30.592 3.948 1.00 0.00 N ATOM 0 H ASN A 41 2.631 27.792 4.157 1.00 0.00 H new ATOM 0 HA ASN A 41 2.182 30.405 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.730 29.342 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.806 31.030 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.467 30.575 3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.017 31.062 4.743 1.00 0.00 H new ATOM 437 N ALA A 42 -0.274 28.372 4.815 1.00 0.00 N ATOM 438 CA ALA A 42 -1.736 28.195 4.935 1.00 0.00 C ATOM 439 C ALA A 42 -2.485 29.153 3.984 1.00 0.00 C ATOM 440 O ALA A 42 -3.297 29.973 4.427 1.00 0.00 O ATOM 441 CB ALA A 42 -2.146 28.469 6.397 1.00 0.00 C ATOM 0 H ALA A 42 0.252 27.500 4.758 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.001 27.175 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.223 28.342 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.632 27.769 7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.872 29.489 6.667 1.00 0.00 H new ATOM 447 N ASP A 43 -2.189 29.053 2.681 1.00 0.00 N ATOM 448 CA ASP A 43 -2.811 29.924 1.655 1.00 0.00 C ATOM 449 C ASP A 43 -3.758 29.128 0.788 1.00 0.00 C ATOM 450 O ASP A 43 -4.464 29.709 -0.024 1.00 0.00 O ATOM 451 CB ASP A 43 -1.707 30.564 0.786 1.00 0.00 C ATOM 452 CG ASP A 43 -0.837 29.492 0.107 1.00 0.00 C ATOM 453 OD1 ASP A 43 -0.935 28.328 0.477 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.093 29.856 -0.785 1.00 0.00 O ATOM 0 H ASP A 43 -1.522 28.379 2.305 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.380 30.709 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.162 31.200 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.080 31.205 1.405 1.00 0.00 H new ATOM 459 N GLN A 44 -3.744 27.804 0.957 1.00 0.00 N ATOM 460 CA GLN A 44 -4.598 26.885 0.196 1.00 0.00 C ATOM 461 C GLN A 44 -4.215 26.868 -1.278 1.00 0.00 C ATOM 462 O GLN A 44 -4.895 26.250 -2.090 1.00 0.00 O ATOM 463 CB GLN A 44 -6.095 27.299 0.362 1.00 0.00 C ATOM 464 CG GLN A 44 -6.451 27.343 1.869 1.00 0.00 C ATOM 465 CD GLN A 44 -7.895 27.797 2.048 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.221 28.945 1.757 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.775 26.957 2.499 1.00 0.00 N ATOM 0 H GLN A 44 -3.137 27.335 1.629 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.455 25.878 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.267 28.275 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.740 26.589 -0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.313 26.357 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.779 28.025 2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.496 26.006 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.746 27.248 2.614 1.00 0.00 H new ATOM 476 N HIS A 45 -3.123 27.553 -1.622 1.00 0.00 N ATOM 477 CA HIS A 45 -2.628 27.611 -3.013 1.00 0.00 C ATOM 478 C HIS A 45 -1.160 27.233 -2.993 1.00 0.00 C ATOM 479 O HIS A 45 -0.426 27.639 -2.093 1.00 0.00 O ATOM 480 CB HIS A 45 -2.799 29.036 -3.595 1.00 0.00 C ATOM 481 CG HIS A 45 -4.247 29.425 -3.550 1.00 0.00 C ATOM 482 ND1 HIS A 45 -4.736 30.322 -2.621 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.319 29.046 -4.317 1.00 0.00 C ATOM 484 CE1 HIS A 45 -6.054 30.457 -2.847 1.00 0.00 C ATOM 485 NE2 HIS A 45 -6.461 29.701 -3.871 1.00 0.00 N ATOM 0 H HIS A 45 -2.557 28.081 -0.958 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.196 26.925 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.203 29.747 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.435 29.067 -4.622 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.196 30.795 -1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.282 28.347 -5.140 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.705 31.098 -2.271 1.00 0.00 H new ATOM 493 N LEU A 46 -0.750 26.435 -3.984 1.00 0.00 N ATOM 494 CA LEU A 46 0.631 25.954 -4.103 1.00 0.00 C ATOM 495 C LEU A 46 1.219 26.432 -5.409 1.00 0.00 C ATOM 496 O LEU A 46 0.940 25.865 -6.471 1.00 0.00 O ATOM 497 CB LEU A 46 0.628 24.405 -4.056 1.00 0.00 C ATOM 498 CG LEU A 46 -0.063 23.888 -2.743 1.00 0.00 C ATOM 499 CD1 LEU A 46 -0.190 22.342 -2.796 1.00 0.00 C ATOM 500 CD2 LEU A 46 0.742 24.318 -1.465 1.00 0.00 C ATOM 0 H LEU A 46 -1.366 26.104 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 46 1.234 26.341 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.104 24.011 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.651 24.033 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.055 24.336 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.669 21.985 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.792 22.056 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.802 21.898 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.237 23.944 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.749 23.903 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.800 25.406 -1.420 1.00 0.00 H new ATOM 512 N ASP A 47 2.084 27.441 -5.319 1.00 0.00 N ATOM 513 CA ASP A 47 2.769 27.958 -6.478 1.00 0.00 C ATOM 514 C ASP A 47 3.975 27.075 -6.714 1.00 0.00 C ATOM 515 O ASP A 47 4.428 26.373 -5.807 1.00 0.00 O ATOM 516 CB ASP A 47 3.210 29.418 -6.228 1.00 0.00 C ATOM 517 CG ASP A 47 3.870 29.996 -7.488 1.00 0.00 C ATOM 518 OD1 ASP A 47 3.141 30.349 -8.396 1.00 0.00 O ATOM 519 OD2 ASP A 47 5.091 30.043 -7.532 1.00 0.00 O ATOM 0 H ASP A 47 2.321 27.912 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 47 2.115 27.955 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.347 30.024 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.909 29.456 -5.392 1.00 0.00 H new ATOM 524 N PHE A 48 4.475 27.113 -7.937 1.00 0.00 N ATOM 525 CA PHE A 48 5.640 26.316 -8.353 1.00 0.00 C ATOM 526 C PHE A 48 6.768 26.334 -7.316 1.00 0.00 C ATOM 527 O PHE A 48 7.362 25.305 -7.024 1.00 0.00 O ATOM 528 CB PHE A 48 6.213 26.882 -9.699 1.00 0.00 C ATOM 529 CG PHE A 48 6.725 25.721 -10.564 1.00 0.00 C ATOM 530 CD1 PHE A 48 5.822 25.064 -11.415 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.068 25.299 -10.509 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.244 24.008 -12.211 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.490 24.237 -11.317 1.00 0.00 C ATOM 534 CZ PHE A 48 7.574 23.596 -12.171 1.00 0.00 C ATOM 0 H PHE A 48 4.090 27.696 -8.680 1.00 0.00 H new ATOM 0 HA PHE A 48 5.292 25.289 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.439 27.434 -10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.022 27.583 -9.496 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.791 25.383 -11.451 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.766 25.791 -9.848 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.542 23.506 -12.861 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.519 23.910 -11.285 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.903 22.781 -12.798 1.00 0.00 H new ATOM 544 N ASP A 49 7.059 27.530 -6.783 1.00 0.00 N ATOM 545 CA ASP A 49 8.136 27.697 -5.801 1.00 0.00 C ATOM 546 C ASP A 49 7.986 26.725 -4.633 1.00 0.00 C ATOM 547 O ASP A 49 8.893 25.944 -4.346 1.00 0.00 O ATOM 548 CB ASP A 49 8.113 29.151 -5.266 1.00 0.00 C ATOM 549 CG ASP A 49 8.234 30.142 -6.426 1.00 0.00 C ATOM 550 OD1 ASP A 49 9.129 29.962 -7.235 1.00 0.00 O ATOM 551 OD2 ASP A 49 7.437 31.068 -6.488 1.00 0.00 O ATOM 0 H ASP A 49 6.565 28.391 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 49 9.085 27.487 -6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.187 29.331 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.932 29.301 -4.563 1.00 0.00 H new ATOM 556 N GLU A 50 6.830 26.786 -3.971 1.00 0.00 N ATOM 557 CA GLU A 50 6.561 25.917 -2.828 1.00 0.00 C ATOM 558 C GLU A 50 6.738 24.453 -3.220 1.00 0.00 C ATOM 559 O GLU A 50 7.392 23.700 -2.519 1.00 0.00 O ATOM 560 CB GLU A 50 5.114 26.136 -2.328 1.00 0.00 C ATOM 561 CG GLU A 50 4.923 27.598 -1.845 1.00 0.00 C ATOM 562 CD GLU A 50 3.490 27.835 -1.341 1.00 0.00 C ATOM 563 OE1 GLU A 50 2.716 26.887 -1.292 1.00 0.00 O ATOM 564 OE2 GLU A 50 3.189 28.969 -1.011 1.00 0.00 O ATOM 0 H GLU A 50 6.070 27.424 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 50 7.266 26.164 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.409 25.916 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.896 25.446 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.633 27.816 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.142 28.285 -2.662 1.00 0.00 H new ATOM 571 N TRP A 51 6.154 24.072 -4.357 1.00 0.00 N ATOM 572 CA TRP A 51 6.242 22.692 -4.825 1.00 0.00 C ATOM 573 C TRP A 51 7.692 22.299 -5.085 1.00 0.00 C ATOM 574 O TRP A 51 8.201 21.335 -4.510 1.00 0.00 O ATOM 575 CB TRP A 51 5.415 22.530 -6.116 1.00 0.00 C ATOM 576 CG TRP A 51 5.284 21.065 -6.453 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.057 20.379 -7.325 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.364 20.101 -5.875 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.643 19.069 -7.354 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.605 18.843 -6.476 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.346 20.191 -4.906 1.00 0.00 C ATOM 582 CZ2 TRP A 51 3.866 17.714 -6.135 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.609 19.048 -4.562 1.00 0.00 C ATOM 584 CH2 TRP A 51 2.864 17.815 -5.176 1.00 0.00 C ATOM 0 H TRP A 51 5.620 24.694 -4.964 1.00 0.00 H new ATOM 0 HA TRP A 51 5.843 22.036 -4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.428 22.973 -5.985 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.897 23.061 -6.937 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.868 20.794 -7.905 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.054 18.352 -7.952 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.133 21.137 -4.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.069 16.766 -6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.834 19.120 -3.813 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.284 16.945 -4.905 1.00 0.00 H new ATOM 595 N ARG A 52 8.335 23.044 -5.982 1.00 0.00 N ATOM 596 CA ARG A 52 9.712 22.770 -6.358 1.00 0.00 C ATOM 597 C ARG A 52 10.605 22.595 -5.138 1.00 0.00 C ATOM 598 O ARG A 52 11.255 21.590 -5.002 1.00 0.00 O ATOM 599 CB ARG A 52 10.282 23.946 -7.203 1.00 0.00 C ATOM 600 CG ARG A 52 11.723 23.606 -7.731 1.00 0.00 C ATOM 601 CD ARG A 52 12.315 24.803 -8.482 1.00 0.00 C ATOM 602 NE ARG A 52 11.475 25.125 -9.639 1.00 0.00 N ATOM 603 CZ ARG A 52 11.763 26.147 -10.451 1.00 0.00 C ATOM 604 NH1 ARG A 52 12.820 26.883 -10.218 1.00 0.00 N ATOM 605 NH2 ARG A 52 10.994 26.408 -11.465 1.00 0.00 N ATOM 0 H ARG A 52 7.919 23.843 -6.461 1.00 0.00 H new ATOM 0 HA ARG A 52 9.706 21.845 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.620 24.149 -8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.316 24.852 -6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.369 23.338 -6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.680 22.740 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.381 25.665 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.329 24.574 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 52 10.651 24.555 -9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.420 26.676 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.044 27.664 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.170 25.833 -11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.214 27.188 -12.084 1.00 0.00 H new ATOM 619 N GLN A 53 10.600 23.598 -4.270 1.00 0.00 N ATOM 620 CA GLN A 53 11.448 23.577 -3.079 1.00 0.00 C ATOM 621 C GLN A 53 11.054 22.479 -2.102 1.00 0.00 C ATOM 622 O GLN A 53 11.921 21.795 -1.541 1.00 0.00 O ATOM 623 CB GLN A 53 11.391 24.950 -2.369 1.00 0.00 C ATOM 624 CG GLN A 53 12.487 25.041 -1.264 1.00 0.00 C ATOM 625 CD GLN A 53 12.450 26.398 -0.579 1.00 0.00 C ATOM 626 OE1 GLN A 53 11.379 26.881 -0.222 1.00 0.00 O ATOM 627 NE2 GLN A 53 13.564 27.040 -0.384 1.00 0.00 N ATOM 0 H GLN A 53 10.023 24.433 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 53 12.465 23.368 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.534 25.748 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.406 25.096 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.334 24.252 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.470 24.878 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.448 26.630 -0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.553 27.954 0.069 1.00 0.00 H new ATOM 636 N GLU A 54 9.747 22.324 -1.898 1.00 0.00 N ATOM 637 CA GLU A 54 9.253 21.326 -0.960 1.00 0.00 C ATOM 638 C GLU A 54 9.706 19.930 -1.368 1.00 0.00 C ATOM 639 O GLU A 54 10.302 19.201 -0.572 1.00 0.00 O ATOM 640 CB GLU A 54 7.701 21.385 -0.885 1.00 0.00 C ATOM 641 CG GLU A 54 7.136 20.341 0.129 1.00 0.00 C ATOM 642 CD GLU A 54 7.606 20.681 1.545 1.00 0.00 C ATOM 643 OE1 GLU A 54 6.985 21.531 2.159 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.612 20.131 1.966 1.00 0.00 O ATOM 0 H GLU A 54 9.022 22.870 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 54 9.665 21.546 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.388 22.386 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.281 21.198 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.047 20.336 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.469 19.340 -0.143 1.00 0.00 H new ATOM 651 N LEU A 55 9.403 19.568 -2.607 1.00 0.00 N ATOM 652 CA LEU A 55 9.760 18.252 -3.127 1.00 0.00 C ATOM 653 C LEU A 55 11.238 18.135 -3.331 1.00 0.00 C ATOM 654 O LEU A 55 11.793 17.059 -3.170 1.00 0.00 O ATOM 655 CB LEU A 55 9.047 17.973 -4.477 1.00 0.00 C ATOM 656 CG LEU A 55 7.564 17.451 -4.258 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.610 18.624 -3.938 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.091 16.654 -5.504 1.00 0.00 C ATOM 0 H LEU A 55 8.911 20.165 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 55 9.437 17.519 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.028 18.885 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.614 17.233 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 55 7.550 16.779 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.600 18.242 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.943 19.126 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.614 19.332 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.073 16.300 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.117 17.301 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.751 15.801 -5.662 1.00 0.00 H new ATOM 670 N LYS A 56 11.865 19.216 -3.764 1.00 0.00 N ATOM 671 CA LYS A 56 13.284 19.173 -4.068 1.00 0.00 C ATOM 672 C LYS A 56 14.096 18.553 -2.943 1.00 0.00 C ATOM 673 O LYS A 56 14.949 17.698 -3.191 1.00 0.00 O ATOM 674 CB LYS A 56 13.811 20.588 -4.350 1.00 0.00 C ATOM 675 CG LYS A 56 15.323 20.564 -4.695 1.00 0.00 C ATOM 676 CD LYS A 56 15.821 21.986 -5.041 1.00 0.00 C ATOM 677 CE LYS A 56 17.318 21.929 -5.401 1.00 0.00 C ATOM 678 NZ LYS A 56 18.063 21.358 -4.240 1.00 0.00 N ATOM 0 H LYS A 56 11.421 20.122 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 56 13.399 18.546 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.254 21.029 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.644 21.222 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.889 20.169 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.499 19.895 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.250 22.390 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.664 22.654 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.471 21.315 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.689 22.927 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.065 21.630 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.660 21.725 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.984 20.321 -4.253 1.00 0.00 H new ATOM 692 N CYS A 57 13.844 18.999 -1.714 1.00 0.00 N ATOM 693 CA CYS A 57 14.579 18.496 -0.550 1.00 0.00 C ATOM 694 C CYS A 57 14.529 16.974 -0.467 1.00 0.00 C ATOM 695 O CYS A 57 15.216 16.379 0.358 1.00 0.00 O ATOM 696 CB CYS A 57 13.972 19.098 0.731 1.00 0.00 C ATOM 697 SG CYS A 57 14.086 20.899 0.655 1.00 0.00 S ATOM 0 H CYS A 57 13.140 19.704 -1.496 1.00 0.00 H new ATOM 0 HA CYS A 57 15.623 18.793 -0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.931 18.792 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.501 18.725 1.608 1.00 0.00 H new ATOM 0 HG CYS A 57 13.222 21.353 -0.204 1.00 0.00 H new ATOM 703 N ARG A 58 13.709 16.367 -1.329 1.00 0.00 N ATOM 704 CA ARG A 58 13.544 14.924 -1.371 1.00 0.00 C ATOM 705 C ARG A 58 14.422 14.282 -2.453 1.00 0.00 C ATOM 706 O ARG A 58 14.229 13.121 -2.813 1.00 0.00 O ATOM 707 CB ARG A 58 12.059 14.587 -1.644 1.00 0.00 C ATOM 708 CG ARG A 58 11.743 13.093 -1.236 1.00 0.00 C ATOM 709 CD ARG A 58 11.055 12.337 -2.368 1.00 0.00 C ATOM 710 NE ARG A 58 10.817 10.978 -1.920 1.00 0.00 N ATOM 711 CZ ARG A 58 11.792 10.052 -1.869 1.00 0.00 C ATOM 712 NH1 ARG A 58 13.023 10.371 -2.196 1.00 0.00 N ATOM 713 NH2 ARG A 58 11.520 8.847 -1.478 1.00 0.00 N ATOM 0 H ARG A 58 13.144 16.868 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 58 13.854 14.521 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.417 15.266 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.835 14.736 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.669 12.585 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.106 13.083 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.115 12.821 -2.633 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.678 12.340 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 58 9.875 10.714 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.242 11.323 -2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.760 9.667 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.567 8.601 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.259 8.145 -1.439 1.00 0.00 H new ATOM 727 N GLY A 59 15.389 15.038 -2.959 1.00 0.00 N ATOM 728 CA GLY A 59 16.324 14.568 -3.999 1.00 0.00 C ATOM 729 C GLY A 59 15.801 14.884 -5.393 1.00 0.00 C ATOM 730 O GLY A 59 16.577 14.944 -6.348 1.00 0.00 O ATOM 0 H GLY A 59 15.555 16.000 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.297 15.039 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.473 13.493 -3.899 1.00 0.00 H new ATOM 734 N HIS A 60 14.486 15.117 -5.499 1.00 0.00 N ATOM 735 CA HIS A 60 13.868 15.454 -6.793 1.00 0.00 C ATOM 736 C HIS A 60 14.520 16.733 -7.330 1.00 0.00 C ATOM 737 O HIS A 60 14.718 17.680 -6.589 1.00 0.00 O ATOM 738 CB HIS A 60 12.346 15.671 -6.622 1.00 0.00 C ATOM 739 CG HIS A 60 11.684 14.370 -6.254 1.00 0.00 C ATOM 740 ND1 HIS A 60 11.989 13.183 -6.906 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.732 14.055 -5.326 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.227 12.219 -6.364 1.00 0.00 C ATOM 743 NE2 HIS A 60 10.444 12.698 -5.397 1.00 0.00 N ATOM 0 H HIS A 60 13.834 15.080 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 60 14.021 14.634 -7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.160 16.416 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.918 16.058 -7.547 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.274 14.754 -4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.246 11.184 -6.673 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.775 12.178 -4.829 1.00 0.00 H new ATOM 751 N ALA A 61 14.891 16.738 -8.611 1.00 0.00 N ATOM 752 CA ALA A 61 15.543 17.902 -9.227 1.00 0.00 C ATOM 753 C ALA A 61 14.476 18.810 -9.822 1.00 0.00 C ATOM 754 O ALA A 61 13.334 18.389 -10.037 1.00 0.00 O ATOM 755 CB ALA A 61 16.515 17.418 -10.320 1.00 0.00 C ATOM 0 H ALA A 61 14.753 15.951 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 61 16.106 18.461 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.002 18.278 -10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.269 16.769 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.962 16.864 -11.079 1.00 0.00 H new ATOM 761 N ASP A 62 14.863 20.053 -10.096 1.00 0.00 N ATOM 762 CA ASP A 62 13.956 21.043 -10.683 1.00 0.00 C ATOM 763 C ASP A 62 13.611 20.655 -12.118 1.00 0.00 C ATOM 764 O ASP A 62 12.589 21.051 -12.630 1.00 0.00 O ATOM 765 CB ASP A 62 14.624 22.436 -10.666 1.00 0.00 C ATOM 766 CG ASP A 62 15.964 22.391 -11.414 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.898 21.828 -10.870 1.00 0.00 O ATOM 768 OD2 ASP A 62 16.027 22.901 -12.522 1.00 0.00 O ATOM 0 H ASP A 62 15.805 20.403 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 62 13.039 21.074 -10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.965 23.169 -11.130 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.784 22.758 -9.637 1.00 0.00 H new ATOM 773 N ALA A 63 14.502 19.912 -12.763 1.00 0.00 N ATOM 774 CA ALA A 63 14.284 19.487 -14.157 1.00 0.00 C ATOM 775 C ALA A 63 13.235 18.372 -14.228 1.00 0.00 C ATOM 776 O ALA A 63 12.325 18.408 -15.061 1.00 0.00 O ATOM 777 CB ALA A 63 15.612 18.975 -14.762 1.00 0.00 C ATOM 0 H ALA A 63 15.379 19.589 -12.354 1.00 0.00 H new ATOM 0 HA ALA A 63 13.925 20.346 -14.724 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.445 18.662 -15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.353 19.774 -14.741 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.974 18.128 -14.180 1.00 0.00 H new ATOM 783 N ASP A 64 13.374 17.380 -13.341 1.00 0.00 N ATOM 784 CA ASP A 64 12.463 16.231 -13.309 1.00 0.00 C ATOM 785 C ASP A 64 11.109 16.620 -12.777 1.00 0.00 C ATOM 786 O ASP A 64 10.122 15.936 -13.036 1.00 0.00 O ATOM 787 CB ASP A 64 13.063 15.118 -12.419 1.00 0.00 C ATOM 788 CG ASP A 64 14.411 14.666 -12.983 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.517 14.563 -14.196 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.318 14.434 -12.199 1.00 0.00 O ATOM 0 H ASP A 64 14.110 17.350 -12.635 1.00 0.00 H new ATOM 0 HA ASP A 64 12.339 15.869 -14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.190 15.485 -11.400 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.378 14.272 -12.370 1.00 0.00 H new ATOM 795 N ILE A 65 11.060 17.700 -12.009 1.00 0.00 N ATOM 796 CA ILE A 65 9.802 18.148 -11.408 1.00 0.00 C ATOM 797 C ILE A 65 8.721 18.330 -12.458 1.00 0.00 C ATOM 798 O ILE A 65 7.532 18.267 -12.159 1.00 0.00 O ATOM 799 CB ILE A 65 10.039 19.504 -10.635 1.00 0.00 C ATOM 800 CG1 ILE A 65 8.984 19.671 -9.470 1.00 0.00 C ATOM 801 CG2 ILE A 65 9.964 20.747 -11.612 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.400 18.891 -8.209 1.00 0.00 C ATOM 0 H ILE A 65 11.868 18.281 -11.786 1.00 0.00 H new ATOM 0 HA ILE A 65 9.464 17.382 -10.710 1.00 0.00 H new ATOM 0 HB ILE A 65 11.041 19.467 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.876 20.728 -9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.009 19.321 -9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.132 21.664 -11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.729 20.651 -12.383 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.980 20.783 -12.080 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.650 19.031 -7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.482 17.831 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.363 19.259 -7.855 1.00 0.00 H new ATOM 814 N GLU A 66 9.165 18.629 -13.678 1.00 0.00 N ATOM 815 CA GLU A 66 8.249 18.900 -14.781 1.00 0.00 C ATOM 816 C GLU A 66 7.378 17.675 -15.062 1.00 0.00 C ATOM 817 O GLU A 66 6.268 17.785 -15.592 1.00 0.00 O ATOM 818 CB GLU A 66 9.067 19.307 -16.073 1.00 0.00 C ATOM 819 CG GLU A 66 8.325 20.406 -16.885 1.00 0.00 C ATOM 820 CD GLU A 66 6.938 19.899 -17.311 1.00 0.00 C ATOM 821 OE1 GLU A 66 6.879 18.817 -17.870 1.00 0.00 O ATOM 822 OE2 GLU A 66 5.961 20.581 -17.042 1.00 0.00 O ATOM 0 H GLU A 66 10.153 18.689 -13.926 1.00 0.00 H new ATOM 0 HA GLU A 66 7.596 19.728 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.053 19.669 -15.783 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.221 18.429 -16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.222 21.308 -16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.909 20.676 -17.765 1.00 0.00 H new ATOM 829 N ALA A 67 7.897 16.514 -14.670 1.00 0.00 N ATOM 830 CA ALA A 67 7.188 15.250 -14.863 1.00 0.00 C ATOM 831 C ALA A 67 6.078 15.100 -13.833 1.00 0.00 C ATOM 832 O ALA A 67 4.935 14.766 -14.169 1.00 0.00 O ATOM 833 CB ALA A 67 8.181 14.073 -14.749 1.00 0.00 C ATOM 0 H ALA A 67 8.806 16.421 -14.217 1.00 0.00 H new ATOM 0 HA ALA A 67 6.739 15.246 -15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.649 13.133 -14.893 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.953 14.174 -15.511 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.643 14.081 -13.762 1.00 0.00 H new ATOM 839 N VAL A 68 6.419 15.358 -12.564 1.00 0.00 N ATOM 840 CA VAL A 68 5.457 15.237 -11.468 1.00 0.00 C ATOM 841 C VAL A 68 4.330 16.235 -11.640 1.00 0.00 C ATOM 842 O VAL A 68 3.205 15.980 -11.238 1.00 0.00 O ATOM 843 CB VAL A 68 6.156 15.464 -10.093 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.153 15.203 -8.916 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.380 14.512 -9.968 1.00 0.00 C ATOM 0 H VAL A 68 7.352 15.651 -12.274 1.00 0.00 H new ATOM 0 HA VAL A 68 5.045 14.228 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 68 6.493 16.499 -10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.659 15.366 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.308 15.886 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.795 14.175 -8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.868 14.671 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.045 13.477 -10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.086 14.720 -10.772 1.00 0.00 H new ATOM 855 N PHE A 69 4.652 17.402 -12.189 1.00 0.00 N ATOM 856 CA PHE A 69 3.656 18.459 -12.362 1.00 0.00 C ATOM 857 C PHE A 69 2.569 18.022 -13.330 1.00 0.00 C ATOM 858 O PHE A 69 1.415 17.845 -12.944 1.00 0.00 O ATOM 859 CB PHE A 69 4.367 19.761 -12.903 1.00 0.00 C ATOM 860 CG PHE A 69 4.172 20.903 -11.896 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.959 21.617 -11.887 1.00 0.00 C ATOM 862 CD2 PHE A 69 5.177 21.219 -10.965 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.758 22.634 -10.962 1.00 0.00 C ATOM 864 CE2 PHE A 69 4.966 22.243 -10.041 1.00 0.00 C ATOM 865 CZ PHE A 69 3.758 22.950 -10.040 1.00 0.00 C ATOM 0 H PHE A 69 5.587 17.641 -12.520 1.00 0.00 H new ATOM 0 HA PHE A 69 3.191 18.667 -11.398 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.430 19.572 -13.054 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.952 20.040 -13.871 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.184 21.374 -12.599 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.108 20.672 -10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.827 23.181 -10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.736 22.490 -9.325 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.599 23.743 -9.324 1.00 0.00 H new ATOM 875 N ALA A 70 2.963 17.828 -14.595 1.00 0.00 N ATOM 876 CA ALA A 70 2.028 17.426 -15.642 1.00 0.00 C ATOM 877 C ALA A 70 1.285 16.165 -15.257 1.00 0.00 C ATOM 878 O ALA A 70 0.253 15.850 -15.848 1.00 0.00 O ATOM 879 CB ALA A 70 2.784 17.202 -16.971 1.00 0.00 C ATOM 0 H ALA A 70 3.925 17.944 -14.914 1.00 0.00 H new ATOM 0 HA ALA A 70 1.300 18.227 -15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.078 16.902 -17.745 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.278 18.127 -17.269 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.530 16.419 -16.838 1.00 0.00 H new ATOM 885 N LYS A 71 1.840 15.435 -14.273 1.00 0.00 N ATOM 886 CA LYS A 71 1.223 14.182 -13.856 1.00 0.00 C ATOM 887 C LYS A 71 -0.246 14.422 -13.507 1.00 0.00 C ATOM 888 O LYS A 71 -1.130 13.801 -14.098 1.00 0.00 O ATOM 889 CB LYS A 71 1.955 13.644 -12.602 1.00 0.00 C ATOM 890 CG LYS A 71 1.577 12.170 -12.335 1.00 0.00 C ATOM 891 CD LYS A 71 2.307 11.645 -11.071 1.00 0.00 C ATOM 892 CE LYS A 71 1.956 10.161 -10.855 1.00 0.00 C ATOM 893 NZ LYS A 71 0.477 10.041 -10.706 1.00 0.00 N ATOM 0 H LYS A 71 2.690 15.688 -13.770 1.00 0.00 H new ATOM 0 HA LYS A 71 1.293 13.459 -14.669 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.033 13.728 -12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.697 14.253 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.499 12.083 -12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.843 11.558 -13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.385 11.762 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.014 12.230 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.301 9.563 -11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.458 9.778 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.258 9.360 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.076 10.969 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.064 9.710 -11.601 1.00 0.00 H new ATOM 907 N TYR A 72 -0.492 15.352 -12.558 1.00 0.00 N ATOM 908 CA TYR A 72 -1.867 15.688 -12.152 1.00 0.00 C ATOM 909 C TYR A 72 -2.241 17.005 -12.785 1.00 0.00 C ATOM 910 O TYR A 72 -3.366 17.173 -13.211 1.00 0.00 O ATOM 911 CB TYR A 72 -1.974 15.792 -10.583 1.00 0.00 C ATOM 912 CG TYR A 72 -3.196 14.989 -10.106 1.00 0.00 C ATOM 913 CD1 TYR A 72 -4.481 15.326 -10.594 1.00 0.00 C ATOM 914 CD2 TYR A 72 -3.054 13.909 -9.226 1.00 0.00 C ATOM 915 CE1 TYR A 72 -5.598 14.592 -10.194 1.00 0.00 C ATOM 916 CE2 TYR A 72 -4.173 13.190 -8.840 1.00 0.00 C ATOM 917 CZ TYR A 72 -5.438 13.525 -9.315 1.00 0.00 C ATOM 918 OH TYR A 72 -6.529 12.791 -8.920 1.00 0.00 O ATOM 0 H TYR A 72 0.234 15.874 -12.068 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.548 14.904 -12.483 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.066 15.407 -10.118 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.069 16.835 -10.281 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.597 16.154 -11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.078 13.638 -8.851 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.579 14.850 -10.564 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.063 12.358 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.253 11.869 -8.734 1.00 0.00 H new ATOM 928 N ASP A 73 -1.301 17.962 -12.757 1.00 0.00 N ATOM 929 CA ASP A 73 -1.552 19.308 -13.295 1.00 0.00 C ATOM 930 C ASP A 73 -1.870 19.220 -14.794 1.00 0.00 C ATOM 931 O ASP A 73 -1.092 19.660 -15.642 1.00 0.00 O ATOM 932 CB ASP A 73 -0.324 20.220 -13.067 1.00 0.00 C ATOM 933 CG ASP A 73 -0.652 21.671 -13.436 1.00 0.00 C ATOM 934 OD1 ASP A 73 -0.742 21.950 -14.620 1.00 0.00 O ATOM 935 OD2 ASP A 73 -0.821 22.474 -12.537 1.00 0.00 O ATOM 0 H ASP A 73 -0.366 17.831 -12.370 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.406 19.739 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.013 20.166 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.514 19.867 -13.668 1.00 0.00 H new ATOM 940 N VAL A 74 -3.008 18.619 -15.114 1.00 0.00 N ATOM 941 CA VAL A 74 -3.418 18.439 -16.501 1.00 0.00 C ATOM 942 C VAL A 74 -3.908 19.763 -17.055 1.00 0.00 C ATOM 943 O VAL A 74 -4.075 19.915 -18.266 1.00 0.00 O ATOM 944 CB VAL A 74 -4.559 17.355 -16.587 1.00 0.00 C ATOM 945 CG1 VAL A 74 -4.839 16.989 -18.088 1.00 0.00 C ATOM 946 CG2 VAL A 74 -4.183 16.047 -15.752 1.00 0.00 C ATOM 0 H VAL A 74 -3.666 18.246 -14.429 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.568 18.096 -17.091 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.463 17.777 -16.149 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.629 16.239 -18.139 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.152 17.883 -18.628 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.931 16.591 -18.541 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.991 15.319 -15.832 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.264 15.614 -16.148 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.037 16.313 -14.705 1.00 0.00 H new ATOM 956 N ASP A 75 -4.115 20.737 -16.164 1.00 0.00 N ATOM 957 CA ASP A 75 -4.586 22.049 -16.588 1.00 0.00 C ATOM 958 C ASP A 75 -3.455 22.812 -17.263 1.00 0.00 C ATOM 959 O ASP A 75 -3.699 23.816 -17.930 1.00 0.00 O ATOM 960 CB ASP A 75 -5.089 22.813 -15.344 1.00 0.00 C ATOM 961 CG ASP A 75 -6.292 22.089 -14.730 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.310 22.015 -15.399 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.180 21.620 -13.607 1.00 0.00 O ATOM 0 H ASP A 75 -3.965 20.640 -15.160 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.400 21.944 -17.306 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.289 22.892 -14.608 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.369 23.829 -15.621 1.00 0.00 H new ATOM 968 N GLY A 76 -2.211 22.340 -17.087 1.00 0.00 N ATOM 969 CA GLY A 76 -1.039 23.002 -17.687 1.00 0.00 C ATOM 970 C GLY A 76 -0.845 24.419 -17.136 1.00 0.00 C ATOM 971 O GLY A 76 0.119 25.097 -17.488 1.00 0.00 O ATOM 0 H GLY A 76 -1.990 21.509 -16.539 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.146 22.409 -17.490 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.160 23.046 -18.769 1.00 0.00 H new ATOM 975 N ASP A 77 -1.770 24.863 -16.268 1.00 0.00 N ATOM 976 CA ASP A 77 -1.708 26.203 -15.668 1.00 0.00 C ATOM 977 C ASP A 77 -0.623 26.254 -14.602 1.00 0.00 C ATOM 978 O ASP A 77 -0.419 27.288 -13.991 1.00 0.00 O ATOM 979 CB ASP A 77 -3.085 26.547 -15.042 1.00 0.00 C ATOM 980 CG ASP A 77 -3.529 25.465 -14.048 1.00 0.00 C ATOM 981 OD1 ASP A 77 -2.723 24.605 -13.714 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.677 25.508 -13.640 1.00 0.00 O ATOM 0 H ASP A 77 -2.572 24.309 -15.967 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.467 26.933 -16.441 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.026 27.509 -14.534 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.831 26.648 -15.830 1.00 0.00 H new ATOM 987 N ARG A 78 0.018 25.102 -14.380 1.00 0.00 N ATOM 988 CA ARG A 78 1.082 24.965 -13.368 1.00 0.00 C ATOM 989 C ARG A 78 0.569 25.374 -11.991 1.00 0.00 C ATOM 990 O ARG A 78 1.360 25.625 -11.080 1.00 0.00 O ATOM 991 CB ARG A 78 2.278 25.881 -13.752 1.00 0.00 C ATOM 992 CG ARG A 78 2.848 25.450 -15.125 1.00 0.00 C ATOM 993 CD ARG A 78 4.005 26.379 -15.527 1.00 0.00 C ATOM 994 NE ARG A 78 5.078 26.275 -14.524 1.00 0.00 N ATOM 995 CZ ARG A 78 6.165 27.051 -14.575 1.00 0.00 C ATOM 996 NH1 ARG A 78 6.285 27.937 -15.528 1.00 0.00 N ATOM 997 NH2 ARG A 78 7.095 26.932 -13.672 1.00 0.00 N ATOM 0 H ARG A 78 -0.181 24.241 -14.890 1.00 0.00 H new ATOM 0 HA ARG A 78 1.398 23.922 -13.335 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.953 26.921 -13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.055 25.819 -12.990 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.198 24.419 -15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.063 25.484 -15.881 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.383 26.104 -16.512 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.654 27.409 -15.596 1.00 0.00 H new ATOM 0 HE ARG A 78 4.989 25.593 -13.771 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.551 28.034 -16.229 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.113 28.531 -15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.995 26.246 -12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.924 27.525 -13.712 1.00 0.00 H new ATOM 1011 N VAL A 79 -0.754 25.462 -11.860 1.00 0.00 N ATOM 1012 CA VAL A 79 -1.396 25.860 -10.598 1.00 0.00 C ATOM 1013 C VAL A 79 -2.604 25.001 -10.382 1.00 0.00 C ATOM 1014 O VAL A 79 -3.355 24.764 -11.309 1.00 0.00 O ATOM 1015 CB VAL A 79 -1.802 27.360 -10.626 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -2.554 27.749 -9.302 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -0.522 28.238 -10.777 1.00 0.00 C ATOM 0 H VAL A 79 -1.410 25.262 -12.615 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.690 25.725 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.469 27.531 -11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.832 28.802 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.453 27.140 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.900 27.574 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.803 29.291 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.145 28.057 -9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.012 27.981 -11.705 1.00 0.00 H new ATOM 1027 N LEU A 80 -2.799 24.585 -9.121 1.00 0.00 N ATOM 1028 CA LEU A 80 -3.928 23.760 -8.719 1.00 0.00 C ATOM 1029 C LEU A 80 -4.457 24.196 -7.349 1.00 0.00 C ATOM 1030 O LEU A 80 -3.686 24.560 -6.459 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.557 22.235 -8.771 1.00 0.00 C ATOM 1032 CG LEU A 80 -4.422 21.504 -9.872 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -5.984 21.692 -9.602 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -4.037 22.017 -11.312 1.00 0.00 C ATOM 0 H LEU A 80 -2.169 24.818 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.740 23.906 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.496 22.118 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.731 21.777 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.202 20.438 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.552 21.177 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.238 21.274 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.231 22.754 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.644 21.501 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.218 23.090 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.983 21.815 -11.500 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.794 24.148 -7.179 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.423 24.526 -5.921 1.00 0.00 C ATOM 1048 C ASP A 81 -6.145 23.468 -4.853 1.00 0.00 C ATOM 1049 O ASP A 81 -5.753 22.339 -5.154 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.952 24.663 -6.143 1.00 0.00 C ATOM 1051 CG ASP A 81 -8.214 25.671 -7.267 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -7.592 26.721 -7.242 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -9.023 25.381 -8.136 1.00 0.00 O ATOM 0 H ASP A 81 -6.448 23.850 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.013 25.477 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.382 23.695 -6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.436 24.992 -5.224 1.00 0.00 H new ATOM 1058 N ALA A 82 -6.379 23.854 -3.597 1.00 0.00 N ATOM 1059 CA ALA A 82 -6.184 22.969 -2.439 1.00 0.00 C ATOM 1060 C ALA A 82 -6.986 21.691 -2.590 1.00 0.00 C ATOM 1061 O ALA A 82 -6.722 20.718 -1.902 1.00 0.00 O ATOM 1062 CB ALA A 82 -6.605 23.692 -1.136 1.00 0.00 C ATOM 0 H ALA A 82 -6.709 24.787 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.126 22.713 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.456 23.026 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.999 24.589 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.657 23.971 -1.198 1.00 0.00 H new ATOM 1068 N GLU A 83 -7.966 21.699 -3.485 1.00 0.00 N ATOM 1069 CA GLU A 83 -8.810 20.522 -3.709 1.00 0.00 C ATOM 1070 C GLU A 83 -7.991 19.380 -4.293 1.00 0.00 C ATOM 1071 O GLU A 83 -8.324 18.199 -4.125 1.00 0.00 O ATOM 1072 CB GLU A 83 -9.961 20.902 -4.670 1.00 0.00 C ATOM 1073 CG GLU A 83 -10.815 22.039 -4.048 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.986 22.390 -4.969 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -12.807 21.514 -5.191 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -12.042 23.512 -5.443 1.00 0.00 O ATOM 0 H GLU A 83 -8.199 22.503 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.223 20.189 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.555 21.224 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.586 20.031 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.191 21.729 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.195 22.921 -3.885 1.00 0.00 H new ATOM 1083 N GLU A 84 -6.921 19.740 -4.999 1.00 0.00 N ATOM 1084 CA GLU A 84 -6.060 18.743 -5.633 1.00 0.00 C ATOM 1085 C GLU A 84 -5.311 17.944 -4.586 1.00 0.00 C ATOM 1086 O GLU A 84 -4.908 16.812 -4.837 1.00 0.00 O ATOM 1087 CB GLU A 84 -5.045 19.424 -6.597 1.00 0.00 C ATOM 1088 CG GLU A 84 -4.625 18.439 -7.751 1.00 0.00 C ATOM 1089 CD GLU A 84 -5.717 18.363 -8.833 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -6.850 18.734 -8.557 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -5.393 17.980 -9.933 1.00 0.00 O ATOM 0 H GLU A 84 -6.631 20.707 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.695 18.069 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.489 20.323 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.162 19.737 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.688 18.773 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.445 17.446 -7.339 1.00 0.00 H new ATOM 1098 N GLN A 85 -5.121 18.548 -3.412 1.00 0.00 N ATOM 1099 CA GLN A 85 -4.398 17.891 -2.320 1.00 0.00 C ATOM 1100 C GLN A 85 -5.141 16.631 -1.887 1.00 0.00 C ATOM 1101 O GLN A 85 -4.534 15.579 -1.686 1.00 0.00 O ATOM 1102 CB GLN A 85 -4.260 18.862 -1.130 1.00 0.00 C ATOM 1103 CG GLN A 85 -3.456 20.119 -1.562 1.00 0.00 C ATOM 1104 CD GLN A 85 -3.351 21.121 -0.410 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -3.711 20.815 0.729 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -2.890 22.309 -0.645 1.00 0.00 N ATOM 0 H GLN A 85 -5.455 19.486 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.404 17.610 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.247 19.156 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.756 18.365 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.458 19.824 -1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.941 20.590 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.592 22.563 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.825 22.990 0.112 1.00 0.00 H new ATOM 1115 N MET A 86 -6.469 16.756 -1.746 1.00 0.00 N ATOM 1116 CA MET A 86 -7.308 15.625 -1.337 1.00 0.00 C ATOM 1117 C MET A 86 -7.191 14.505 -2.361 1.00 0.00 C ATOM 1118 O MET A 86 -6.922 13.354 -2.006 1.00 0.00 O ATOM 1119 CB MET A 86 -8.774 16.105 -1.224 1.00 0.00 C ATOM 1120 CG MET A 86 -8.935 17.079 -0.041 1.00 0.00 C ATOM 1121 SD MET A 86 -10.655 17.620 0.055 1.00 0.00 S ATOM 1122 CE MET A 86 -10.483 18.580 1.575 1.00 0.00 C ATOM 0 H MET A 86 -6.980 17.624 -1.908 1.00 0.00 H new ATOM 0 HA MET A 86 -6.979 15.244 -0.370 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.074 16.596 -2.150 1.00 0.00 H new ATOM 0 HB3 MET A 86 -9.434 15.248 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.642 16.592 0.889 1.00 0.00 H new ATOM 0 HG3 MET A 86 -8.278 17.939 -0.171 1.00 0.00 H new ATOM 0 HE1 MET A 86 -11.445 19.021 1.838 1.00 0.00 H new ATOM 0 HE2 MET A 86 -10.151 17.927 2.382 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.750 19.372 1.424 1.00 0.00 H new ATOM 1132 N LYS A 87 -7.388 14.851 -3.636 1.00 0.00 N ATOM 1133 CA LYS A 87 -7.292 13.861 -4.712 1.00 0.00 C ATOM 1134 C LYS A 87 -5.899 13.259 -4.752 1.00 0.00 C ATOM 1135 O LYS A 87 -5.755 12.071 -4.890 1.00 0.00 O ATOM 1136 CB LYS A 87 -7.595 14.539 -6.066 1.00 0.00 C ATOM 1137 CG LYS A 87 -9.087 14.939 -6.149 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.389 15.659 -7.486 1.00 0.00 C ATOM 1139 CE LYS A 87 -10.901 15.955 -7.591 1.00 0.00 C ATOM 1140 NZ LYS A 87 -11.306 16.799 -6.433 1.00 0.00 N ATOM 0 H LYS A 87 -7.612 15.797 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.016 13.068 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.968 15.423 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.348 13.861 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.712 14.050 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.340 15.592 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.822 16.588 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.072 15.038 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.121 16.468 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.468 15.024 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.218 17.254 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.398 16.204 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.584 17.529 -6.266 1.00 0.00 H new ATOM 1154 N MET A 88 -4.886 14.106 -4.631 1.00 0.00 N ATOM 1155 CA MET A 88 -3.488 13.634 -4.664 1.00 0.00 C ATOM 1156 C MET A 88 -3.265 12.528 -3.638 1.00 0.00 C ATOM 1157 O MET A 88 -2.976 11.397 -4.003 1.00 0.00 O ATOM 1158 CB MET A 88 -2.518 14.824 -4.382 1.00 0.00 C ATOM 1159 CG MET A 88 -2.152 15.555 -5.684 1.00 0.00 C ATOM 1160 SD MET A 88 -1.172 17.026 -5.303 1.00 0.00 S ATOM 1161 CE MET A 88 -0.702 17.401 -7.005 1.00 0.00 C ATOM 0 H MET A 88 -4.992 15.113 -4.510 1.00 0.00 H new ATOM 0 HA MET A 88 -3.285 13.230 -5.656 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.985 15.522 -3.687 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.612 14.454 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.589 14.891 -6.339 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.058 15.839 -6.220 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.077 18.294 -7.022 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.146 16.561 -7.422 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.598 17.575 -7.600 1.00 0.00 H new ATOM 1171 N ALA A 89 -3.428 12.863 -2.360 1.00 0.00 N ATOM 1172 CA ALA A 89 -3.239 11.883 -1.283 1.00 0.00 C ATOM 1173 C ALA A 89 -4.000 10.575 -1.570 1.00 0.00 C ATOM 1174 O ALA A 89 -3.414 9.490 -1.587 1.00 0.00 O ATOM 1175 CB ALA A 89 -3.733 12.483 0.051 1.00 0.00 C ATOM 0 H ALA A 89 -3.688 13.797 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.176 11.650 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.593 11.756 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.164 13.385 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.791 12.732 -0.032 1.00 0.00 H new ATOM 1181 N HIS A 90 -5.304 10.705 -1.806 1.00 0.00 N ATOM 1182 CA HIS A 90 -6.158 9.543 -2.086 1.00 0.00 C ATOM 1183 C HIS A 90 -5.740 8.830 -3.371 1.00 0.00 C ATOM 1184 O HIS A 90 -5.718 7.604 -3.424 1.00 0.00 O ATOM 1185 CB HIS A 90 -7.631 10.001 -2.204 1.00 0.00 C ATOM 1186 CG HIS A 90 -8.072 10.630 -0.911 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -8.700 11.860 -0.864 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -7.977 10.203 0.390 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -8.959 12.132 0.426 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -8.539 11.155 1.232 1.00 0.00 N ATOM 0 H HIS A 90 -5.795 11.599 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.048 8.839 -1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -7.735 10.715 -3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.269 9.149 -2.441 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -8.926 12.453 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.534 9.271 0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.448 13.032 0.769 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.436 9.606 -4.404 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.044 9.046 -5.703 1.00 0.00 C ATOM 1200 C ASP A 91 -3.784 8.192 -5.567 1.00 0.00 C ATOM 1201 O ASP A 91 -3.718 7.105 -6.112 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.782 10.181 -6.717 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.306 9.621 -8.068 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -5.125 9.038 -8.758 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -3.132 9.763 -8.374 1.00 0.00 O ATOM 0 H ASP A 91 -5.452 10.625 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.861 8.419 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.694 10.761 -6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.031 10.863 -6.318 1.00 0.00 H new ATOM 1210 N LEU A 92 -2.794 8.700 -4.837 1.00 0.00 N ATOM 1211 CA LEU A 92 -1.528 7.978 -4.660 1.00 0.00 C ATOM 1212 C LEU A 92 -1.785 6.628 -4.012 1.00 0.00 C ATOM 1213 O LEU A 92 -1.221 5.611 -4.421 1.00 0.00 O ATOM 1214 CB LEU A 92 -0.583 8.843 -3.798 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.151 10.152 -4.568 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.469 11.176 -3.578 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.875 9.832 -5.706 1.00 0.00 C ATOM 0 H LEU A 92 -2.839 9.601 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.059 7.795 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.080 9.113 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.302 8.265 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.044 10.580 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.763 12.074 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.266 11.436 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.345 10.737 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.152 10.755 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.765 9.374 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.423 9.144 -6.420 1.00 0.00 H new ATOM 1229 N GLU A 93 -2.667 6.619 -3.020 1.00 0.00 N ATOM 1230 CA GLU A 93 -3.025 5.368 -2.340 1.00 0.00 C ATOM 1231 C GLU A 93 -3.836 4.498 -3.294 1.00 0.00 C ATOM 1232 O GLU A 93 -3.562 3.305 -3.448 1.00 0.00 O ATOM 1233 CB GLU A 93 -3.828 5.687 -1.042 1.00 0.00 C ATOM 1234 CG GLU A 93 -2.867 6.038 0.132 1.00 0.00 C ATOM 1235 CD GLU A 93 -2.001 7.254 -0.219 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -1.075 7.089 -1.002 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -2.278 8.326 0.289 1.00 0.00 O ATOM 0 H GLU A 93 -3.145 7.448 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.125 4.824 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.506 6.521 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.443 4.829 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.446 6.245 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.229 5.183 0.354 1.00 0.00 H new ATOM 1244 N GLY A 94 -4.842 5.099 -3.931 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.703 4.371 -4.865 1.00 0.00 C ATOM 1246 C GLY A 94 -4.875 3.608 -5.894 1.00 0.00 C ATOM 1247 O GLY A 94 -5.235 2.508 -6.308 1.00 0.00 O ATOM 0 H GLY A 94 -5.080 6.084 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.336 3.675 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.366 5.070 -5.374 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.730 4.194 -6.267 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.805 3.564 -7.220 1.00 0.00 C ATOM 1253 C GLN A 95 -1.983 2.502 -6.516 1.00 0.00 C ATOM 1254 O GLN A 95 -1.629 1.481 -7.113 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.871 4.642 -7.824 1.00 0.00 C ATOM 1256 CG GLN A 95 -2.679 5.585 -8.756 1.00 0.00 C ATOM 1257 CD GLN A 95 -1.792 6.703 -9.293 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.803 7.081 -8.662 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -2.103 7.262 -10.420 1.00 0.00 N ATOM 0 H GLN A 95 -3.421 5.104 -5.924 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.376 3.094 -8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.404 5.219 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.067 4.165 -8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.096 5.014 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.520 6.012 -8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.923 6.945 -10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.528 8.019 -10.789 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.672 2.734 -5.240 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.870 1.786 -4.474 1.00 0.00 C ATOM 1270 C LYS A 96 -1.552 0.424 -4.437 1.00 0.00 C ATOM 1271 O LYS A 96 -0.893 -0.607 -4.367 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.653 2.312 -3.035 1.00 0.00 C ATOM 1273 CG LYS A 96 0.464 1.503 -2.327 1.00 0.00 C ATOM 1274 CD LYS A 96 0.692 2.032 -0.888 1.00 0.00 C ATOM 1275 CE LYS A 96 1.811 1.221 -0.201 1.00 0.00 C ATOM 1276 NZ LYS A 96 3.077 1.423 -0.959 1.00 0.00 N ATOM 0 H LYS A 96 -1.961 3.563 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 96 0.100 1.678 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.384 3.368 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.581 2.235 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.191 0.448 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.390 1.575 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.962 3.088 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.231 1.955 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.933 1.545 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.550 0.163 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.544 0.505 -1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.864 1.854 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.708 2.051 -0.421 1.00 0.00 H new ATOM 1290 N SER A 97 -2.887 0.446 -4.479 1.00 0.00 N ATOM 1291 CA SER A 97 -3.684 -0.783 -4.450 1.00 0.00 C ATOM 1292 C SER A 97 -3.349 -1.670 -5.651 1.00 0.00 C ATOM 1293 O SER A 97 -3.198 -2.887 -5.516 1.00 0.00 O ATOM 1294 CB SER A 97 -5.180 -0.440 -4.472 1.00 0.00 C ATOM 1295 OG SER A 97 -5.928 -1.647 -4.416 1.00 0.00 O ATOM 0 H SER A 97 -3.439 1.302 -4.533 1.00 0.00 H new ATOM 0 HA SER A 97 -3.447 -1.323 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.433 0.200 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.427 0.115 -5.377 1.00 0.00 H new ATOM 0 HG SER A 97 -6.886 -1.439 -4.428 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.213 -1.037 -6.828 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.887 -1.764 -8.063 1.00 0.00 C ATOM 1303 C ASP A 98 -1.537 -2.460 -7.909 1.00 0.00 C ATOM 1304 O ASP A 98 -1.353 -3.588 -8.365 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.856 -0.774 -9.259 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.241 -0.143 -9.449 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.211 -0.881 -9.394 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.312 1.060 -9.642 1.00 0.00 O ATOM 0 H ASP A 98 -3.323 -0.030 -6.949 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.649 -2.519 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.114 0.004 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.557 -1.297 -10.168 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.599 -1.768 -7.259 1.00 0.00 N ATOM 1314 CA LEU A 99 0.748 -2.318 -7.033 1.00 0.00 C ATOM 1315 C LEU A 99 0.732 -3.336 -5.926 1.00 0.00 C ATOM 1316 O LEU A 99 1.450 -4.344 -5.986 1.00 0.00 O ATOM 1317 CB LEU A 99 1.746 -1.158 -6.727 1.00 0.00 C ATOM 1318 CG LEU A 99 2.251 -0.510 -8.067 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.133 -1.532 -8.903 1.00 0.00 C ATOM 1320 CD2 LEU A 99 1.029 0.006 -8.911 1.00 0.00 C ATOM 0 H LEU A 99 -0.741 -0.832 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 99 1.080 -2.829 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.259 -0.403 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.593 -1.538 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 99 2.886 0.341 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.468 -1.055 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.000 -1.831 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.538 -2.412 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.390 0.453 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.369 -0.830 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.480 0.753 -8.337 1.00 0.00 H new ATOM 1332 N ASN A 100 -0.062 -3.062 -4.902 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.148 -3.950 -3.756 1.00 0.00 C ATOM 1334 C ASN A 100 -0.441 -5.374 -4.221 1.00 0.00 C ATOM 1335 O ASN A 100 0.141 -6.326 -3.716 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.251 -3.458 -2.794 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.183 -4.225 -1.470 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.997 -5.443 -1.467 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -1.296 -3.575 -0.352 1.00 0.00 N ATOM 0 H ASN A 100 -0.654 -2.234 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 100 0.805 -3.947 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.133 -2.390 -2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.230 -3.596 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.231 -4.073 0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.450 -2.567 -0.362 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.338 -5.486 -5.211 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.705 -6.787 -5.775 1.00 0.00 C ATOM 1348 C ASN A 101 -0.586 -7.313 -6.654 1.00 0.00 C ATOM 1349 O ASN A 101 -0.211 -8.485 -6.554 1.00 0.00 O ATOM 1350 CB ASN A 101 -3.003 -6.649 -6.604 1.00 0.00 C ATOM 1351 CG ASN A 101 -4.102 -6.054 -5.731 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.834 -5.168 -6.168 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.249 -6.486 -4.508 1.00 0.00 N ATOM 0 H ASN A 101 -1.820 -4.693 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.871 -7.491 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.828 -6.012 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.311 -7.624 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.974 -6.088 -3.910 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.639 -7.221 -4.150 1.00 0.00 H new ATOM 1360 N GLN A 102 -0.069 -6.438 -7.534 1.00 0.00 N ATOM 1361 CA GLN A 102 0.996 -6.823 -8.470 1.00 0.00 C ATOM 1362 C GLN A 102 2.112 -7.570 -7.739 1.00 0.00 C ATOM 1363 O GLN A 102 2.593 -8.601 -8.203 1.00 0.00 O ATOM 1364 CB GLN A 102 1.580 -5.563 -9.182 1.00 0.00 C ATOM 1365 CG GLN A 102 2.420 -5.969 -10.443 1.00 0.00 C ATOM 1366 CD GLN A 102 1.486 -6.471 -11.549 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.605 -7.606 -12.009 1.00 0.00 O ATOM 1368 NE2 GLN A 102 0.537 -5.683 -11.971 1.00 0.00 N ATOM 0 H GLN A 102 -0.370 -5.467 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 102 0.564 -7.485 -9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.768 -4.900 -9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.208 -5.006 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.994 -5.114 -10.800 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.137 -6.747 -10.179 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.445 -4.743 -11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.113 -6.006 -12.687 1.00 0.00 H new ATOM 1377 N LEU A 103 2.499 -7.033 -6.582 1.00 0.00 N ATOM 1378 CA LEU A 103 3.544 -7.628 -5.744 1.00 0.00 C ATOM 1379 C LEU A 103 2.924 -8.442 -4.648 1.00 0.00 C ATOM 1380 O LEU A 103 3.645 -9.142 -3.935 1.00 0.00 O ATOM 1381 CB LEU A 103 4.403 -6.484 -5.137 1.00 0.00 C ATOM 1382 CG LEU A 103 5.243 -5.759 -6.264 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.616 -4.318 -5.826 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.546 -6.571 -6.584 1.00 0.00 C ATOM 0 H LEU A 103 2.100 -6.176 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 103 4.172 -8.284 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.756 -5.763 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.074 -6.889 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 103 4.629 -5.705 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.194 -3.836 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.706 -3.747 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.211 -4.358 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.112 -6.058 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.155 -6.651 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.277 -7.569 -6.929 1.00 0.00 H new