USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=8 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 24 LYS NZ :NH3+ -107:sc= -3.54! (180deg=-2.03) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.453 X(o=-4,f=-4.1) USER MOD Single : A 20 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.13) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -107:sc= 1.08 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.85 K(o=-0.85,f=-1.7!) USER MOD Single : A 37 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.61) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 45 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-1.3) USER MOD Single : A 53 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -60:sc= 1.13 USER MOD Single : A 60 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.12 (180deg=-0.674) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0417 (180deg=-0.608) USER MOD Single : A 88 MET CE :methyl 155:sc= 0 (180deg=-0.272) USER MOD Single : A 90 HIS : no HD1:sc= -0.47 K(o=-0.47,f=-1.5) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -48:sc= 1 USER MOD Single : A 100 ASN : amide:sc= -3.84 K(o=-3.8,f=-6.5!) USER MOD Single : A 101 ASN : amide:sc= -0.958 X(o=-0.96,f=-0.64) USER MOD Single : A 102 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.541 -0.951 -6.824 1.00 0.00 N ATOM 109 CA HIS A 20 12.982 0.087 -7.685 1.00 0.00 C ATOM 110 C HIS A 20 11.612 0.511 -7.173 1.00 0.00 C ATOM 111 O HIS A 20 11.379 1.682 -6.890 1.00 0.00 O ATOM 112 CB HIS A 20 12.864 -0.455 -9.132 1.00 0.00 C ATOM 113 CG HIS A 20 12.327 0.613 -10.049 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.745 1.927 -9.949 1.00 0.00 N ATOM 115 CD2 HIS A 20 11.392 0.585 -11.051 1.00 0.00 C ATOM 116 CE1 HIS A 20 12.070 2.635 -10.866 1.00 0.00 C ATOM 117 NE2 HIS A 20 11.231 1.865 -11.570 1.00 0.00 N ATOM 0 HA HIS A 20 13.640 0.956 -7.676 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.841 -0.788 -9.483 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.206 -1.324 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.862 -0.295 -11.386 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.189 3.698 -11.018 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.608 2.155 -12.324 1.00 0.00 H new ATOM 125 N MET A 21 10.691 -0.453 -7.085 1.00 0.00 N ATOM 126 CA MET A 21 9.323 -0.162 -6.644 1.00 0.00 C ATOM 127 C MET A 21 9.318 0.392 -5.223 1.00 0.00 C ATOM 128 O MET A 21 8.539 1.293 -4.897 1.00 0.00 O ATOM 129 CB MET A 21 8.446 -1.430 -6.720 1.00 0.00 C ATOM 130 CG MET A 21 6.953 -1.085 -6.482 1.00 0.00 C ATOM 131 SD MET A 21 5.943 -2.576 -6.698 1.00 0.00 S ATOM 132 CE MET A 21 5.585 -2.401 -8.464 1.00 0.00 C ATOM 0 H MET A 21 10.865 -1.432 -7.311 1.00 0.00 H new ATOM 0 HA MET A 21 8.908 0.592 -7.312 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.564 -1.900 -7.696 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.780 -2.153 -5.976 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.817 -0.684 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.632 -0.312 -7.180 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.965 -3.234 -8.794 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.056 -1.464 -8.637 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.519 -2.399 -9.026 1.00 0.00 H new ATOM 142 N ALA A 22 10.186 -0.166 -4.375 1.00 0.00 N ATOM 143 CA ALA A 22 10.282 0.255 -2.976 1.00 0.00 C ATOM 144 C ALA A 22 10.420 1.777 -2.883 1.00 0.00 C ATOM 145 O ALA A 22 9.924 2.400 -1.952 1.00 0.00 O ATOM 146 CB ALA A 22 11.501 -0.424 -2.312 1.00 0.00 C ATOM 0 H ALA A 22 10.833 -0.911 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 22 9.372 -0.044 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.570 -0.109 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.383 -1.507 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.410 -0.136 -2.840 1.00 0.00 H new ATOM 152 N SER A 23 11.102 2.365 -3.876 1.00 0.00 N ATOM 153 CA SER A 23 11.308 3.815 -3.921 1.00 0.00 C ATOM 154 C SER A 23 9.977 4.524 -4.064 1.00 0.00 C ATOM 155 O SER A 23 9.762 5.589 -3.492 1.00 0.00 O ATOM 156 CB SER A 23 12.218 4.190 -5.108 1.00 0.00 C ATOM 157 OG SER A 23 11.495 4.073 -6.331 1.00 0.00 O ATOM 0 H SER A 23 11.519 1.858 -4.657 1.00 0.00 H new ATOM 0 HA SER A 23 11.786 4.125 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.584 5.210 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.091 3.538 -5.128 1.00 0.00 H new ATOM 0 HG SER A 23 11.801 3.279 -6.817 1.00 0.00 H new ATOM 163 N LYS A 24 9.077 3.916 -4.847 1.00 0.00 N ATOM 164 CA LYS A 24 7.752 4.499 -5.089 1.00 0.00 C ATOM 165 C LYS A 24 7.018 4.722 -3.768 1.00 0.00 C ATOM 166 O LYS A 24 6.402 5.761 -3.543 1.00 0.00 O ATOM 167 CB LYS A 24 6.914 3.580 -6.015 1.00 0.00 C ATOM 168 CG LYS A 24 5.676 4.337 -6.559 1.00 0.00 C ATOM 169 CD LYS A 24 4.869 3.440 -7.531 1.00 0.00 C ATOM 170 CE LYS A 24 3.664 4.225 -8.089 1.00 0.00 C ATOM 171 NZ LYS A 24 2.813 4.655 -6.952 1.00 0.00 N ATOM 0 H LYS A 24 9.240 3.027 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 24 7.887 5.462 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.529 3.233 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.593 2.695 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.040 4.647 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.995 5.244 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.508 3.108 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.523 2.546 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.006 5.092 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.091 3.602 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.944 4.084 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.332 4.523 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.566 5.659 -7.064 1.00 0.00 H new ATOM 185 N ARG A 25 7.106 3.728 -2.893 1.00 0.00 N ATOM 186 CA ARG A 25 6.466 3.810 -1.573 1.00 0.00 C ATOM 187 C ARG A 25 7.080 4.938 -0.758 1.00 0.00 C ATOM 188 O ARG A 25 6.373 5.723 -0.123 1.00 0.00 O ATOM 189 CB ARG A 25 6.654 2.455 -0.838 1.00 0.00 C ATOM 190 CG ARG A 25 5.719 1.347 -1.446 1.00 0.00 C ATOM 191 CD ARG A 25 4.329 1.403 -0.775 1.00 0.00 C ATOM 192 NE ARG A 25 4.464 1.107 0.655 1.00 0.00 N ATOM 193 CZ ARG A 25 3.417 1.115 1.486 1.00 0.00 C ATOM 194 NH1 ARG A 25 2.232 1.415 1.028 1.00 0.00 N ATOM 195 NH2 ARG A 25 3.583 0.838 2.747 1.00 0.00 N ATOM 0 H ARG A 25 7.610 2.858 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 25 5.403 4.017 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.694 2.138 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.434 2.579 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.619 1.494 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.164 0.363 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.886 2.389 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.658 0.684 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 25 5.388 0.888 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.109 1.642 0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.429 1.423 1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.513 0.615 3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.783 0.844 3.380 1.00 0.00 H new ATOM 209 N ASP A 26 8.409 5.008 -0.786 1.00 0.00 N ATOM 210 CA ASP A 26 9.133 6.034 -0.048 1.00 0.00 C ATOM 211 C ASP A 26 8.881 7.396 -0.660 1.00 0.00 C ATOM 212 O ASP A 26 8.939 8.416 0.031 1.00 0.00 O ATOM 213 CB ASP A 26 10.646 5.730 -0.054 1.00 0.00 C ATOM 214 CG ASP A 26 10.890 4.336 0.526 1.00 0.00 C ATOM 215 OD1 ASP A 26 10.347 4.061 1.582 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.606 3.566 -0.094 1.00 0.00 O ATOM 0 H ASP A 26 9.003 4.367 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 26 8.776 6.036 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.035 5.785 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.180 6.478 0.532 1.00 0.00 H new ATOM 221 N LYS A 27 8.624 7.411 -1.974 1.00 0.00 N ATOM 222 CA LYS A 27 8.405 8.664 -2.685 1.00 0.00 C ATOM 223 C LYS A 27 7.209 9.422 -2.118 1.00 0.00 C ATOM 224 O LYS A 27 7.345 10.542 -1.646 1.00 0.00 O ATOM 225 CB LYS A 27 8.169 8.380 -4.191 1.00 0.00 C ATOM 226 CG LYS A 27 8.177 9.696 -5.006 1.00 0.00 C ATOM 227 CD LYS A 27 7.976 9.420 -6.512 1.00 0.00 C ATOM 228 CE LYS A 27 8.002 10.745 -7.302 1.00 0.00 C ATOM 229 NZ LYS A 27 7.813 10.447 -8.733 1.00 0.00 N ATOM 0 H LYS A 27 8.564 6.576 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 27 9.294 9.282 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.943 7.710 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.215 7.870 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.387 10.355 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.122 10.217 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.760 8.755 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.026 8.910 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.215 11.411 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.950 11.260 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.829 11.333 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.579 9.825 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.898 9.972 -8.871 1.00 0.00 H new ATOM 243 N ILE A 28 6.041 8.783 -2.153 1.00 0.00 N ATOM 244 CA ILE A 28 4.818 9.398 -1.646 1.00 0.00 C ATOM 245 C ILE A 28 4.929 9.667 -0.144 1.00 0.00 C ATOM 246 O ILE A 28 4.454 10.678 0.351 1.00 0.00 O ATOM 247 CB ILE A 28 3.599 8.478 -1.960 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.831 7.044 -1.359 1.00 0.00 C ATOM 249 CG2 ILE A 28 3.389 8.388 -3.504 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.590 6.154 -1.523 1.00 0.00 C ATOM 0 H ILE A 28 5.917 7.842 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 28 4.671 10.357 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 28 2.706 8.905 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.683 6.576 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.082 7.128 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.536 7.744 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.201 9.384 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.283 7.973 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.788 5.171 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.745 6.610 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.355 6.049 -2.582 1.00 0.00 H new ATOM 262 N ALA A 29 5.553 8.735 0.576 1.00 0.00 N ATOM 263 CA ALA A 29 5.706 8.855 2.023 1.00 0.00 C ATOM 264 C ALA A 29 6.435 10.147 2.380 1.00 0.00 C ATOM 265 O ALA A 29 6.213 10.725 3.437 1.00 0.00 O ATOM 266 CB ALA A 29 6.485 7.644 2.566 1.00 0.00 C ATOM 0 H ALA A 29 5.961 7.888 0.179 1.00 0.00 H new ATOM 0 HA ALA A 29 4.716 8.880 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.597 7.738 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.941 6.728 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.470 7.607 2.101 1.00 0.00 H new ATOM 272 N ASP A 30 7.316 10.579 1.474 1.00 0.00 N ATOM 273 CA ASP A 30 8.108 11.792 1.673 1.00 0.00 C ATOM 274 C ASP A 30 7.338 13.035 1.234 1.00 0.00 C ATOM 275 O ASP A 30 7.499 14.107 1.811 1.00 0.00 O ATOM 276 CB ASP A 30 9.413 11.680 0.851 1.00 0.00 C ATOM 277 CG ASP A 30 10.291 10.539 1.376 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.306 10.335 2.579 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.936 9.890 0.567 1.00 0.00 O ATOM 0 H ASP A 30 7.498 10.102 0.591 1.00 0.00 H new ATOM 0 HA ASP A 30 8.333 11.890 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.173 11.507 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.962 12.620 0.902 1.00 0.00 H new ATOM 284 N ILE A 31 6.533 12.893 0.189 1.00 0.00 N ATOM 285 CA ILE A 31 5.759 14.022 -0.353 1.00 0.00 C ATOM 286 C ILE A 31 4.475 14.253 0.433 1.00 0.00 C ATOM 287 O ILE A 31 4.037 15.397 0.584 1.00 0.00 O ATOM 288 CB ILE A 31 5.409 13.750 -1.849 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.729 13.553 -2.672 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.587 14.942 -2.452 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.426 13.059 -4.110 1.00 0.00 C ATOM 0 H ILE A 31 6.393 12.012 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 31 6.374 14.918 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 31 4.803 12.846 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.277 14.494 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.372 12.833 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.354 14.732 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.661 15.066 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.175 15.858 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.361 12.932 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.900 12.105 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.803 13.792 -4.623 1.00 0.00 H new ATOM 303 N GLN A 32 3.853 13.169 0.871 1.00 0.00 N ATOM 304 CA GLN A 32 2.573 13.258 1.584 1.00 0.00 C ATOM 305 C GLN A 32 2.697 14.121 2.832 1.00 0.00 C ATOM 306 O GLN A 32 2.004 15.128 2.970 1.00 0.00 O ATOM 307 CB GLN A 32 2.103 11.831 1.977 1.00 0.00 C ATOM 308 CG GLN A 32 1.449 11.108 0.768 1.00 0.00 C ATOM 309 CD GLN A 32 1.116 9.654 1.121 1.00 0.00 C ATOM 310 OE1 GLN A 32 1.192 9.253 2.285 1.00 0.00 O ATOM 311 NE2 GLN A 32 0.769 8.841 0.174 1.00 0.00 N ATOM 0 H GLN A 32 4.205 12.219 0.750 1.00 0.00 H new ATOM 0 HA GLN A 32 1.841 13.722 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.953 11.250 2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.389 11.893 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.541 11.633 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.125 11.134 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.707 9.175 -0.788 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.558 7.867 0.390 1.00 0.00 H new ATOM 320 N GLU A 33 3.594 13.711 3.722 1.00 0.00 N ATOM 321 CA GLU A 33 3.822 14.427 4.969 1.00 0.00 C ATOM 322 C GLU A 33 4.309 15.833 4.699 1.00 0.00 C ATOM 323 O GLU A 33 3.746 16.791 5.207 1.00 0.00 O ATOM 324 CB GLU A 33 4.865 13.668 5.828 1.00 0.00 C ATOM 325 CG GLU A 33 6.212 13.424 5.042 1.00 0.00 C ATOM 326 CD GLU A 33 7.016 12.275 5.670 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.428 11.228 5.891 1.00 0.00 O ATOM 328 OE2 GLU A 33 8.200 12.455 5.909 1.00 0.00 O ATOM 0 H GLU A 33 4.177 12.883 3.601 1.00 0.00 H new ATOM 0 HA GLU A 33 2.878 14.485 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.072 14.237 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.449 12.710 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.992 13.192 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.810 14.335 5.046 1.00 0.00 H new ATOM 335 N ALA A 34 5.407 15.947 3.952 1.00 0.00 N ATOM 336 CA ALA A 34 6.033 17.233 3.702 1.00 0.00 C ATOM 337 C ALA A 34 5.006 18.278 3.363 1.00 0.00 C ATOM 338 O ALA A 34 4.885 19.233 4.107 1.00 0.00 O ATOM 339 CB ALA A 34 7.014 17.121 2.515 1.00 0.00 C ATOM 0 H ALA A 34 5.878 15.157 3.511 1.00 0.00 H new ATOM 0 HA ALA A 34 6.562 17.524 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.479 18.090 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.785 16.386 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.472 16.807 1.623 1.00 0.00 H new ATOM 345 N LEU A 35 4.237 18.043 2.306 1.00 0.00 N ATOM 346 CA LEU A 35 3.193 18.995 1.922 1.00 0.00 C ATOM 347 C LEU A 35 2.086 19.090 2.991 1.00 0.00 C ATOM 348 O LEU A 35 1.783 20.168 3.483 1.00 0.00 O ATOM 349 CB LEU A 35 2.578 18.542 0.580 1.00 0.00 C ATOM 350 CG LEU A 35 1.311 19.386 0.204 1.00 0.00 C ATOM 351 CD1 LEU A 35 1.669 20.896 0.058 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.668 18.827 -1.088 1.00 0.00 C ATOM 0 H LEU A 35 4.311 17.220 1.708 1.00 0.00 H new ATOM 0 HA LEU A 35 3.644 19.982 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.323 18.634 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.307 17.488 0.642 1.00 0.00 H new ATOM 0 HG LEU A 35 0.582 19.305 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.773 21.459 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.069 21.268 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.416 21.019 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.211 19.419 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.388 18.878 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.374 17.790 -0.928 1.00 0.00 H new ATOM 364 N ALA A 36 1.435 17.958 3.270 1.00 0.00 N ATOM 365 CA ALA A 36 0.314 17.929 4.219 1.00 0.00 C ATOM 366 C ALA A 36 0.700 18.675 5.506 1.00 0.00 C ATOM 367 O ALA A 36 0.035 19.630 5.925 1.00 0.00 O ATOM 368 CB ALA A 36 -0.043 16.467 4.538 1.00 0.00 C ATOM 0 H ALA A 36 1.661 17.054 2.856 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.552 18.422 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.875 16.441 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.329 15.954 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.821 15.969 4.978 1.00 0.00 H new ATOM 374 N HIS A 37 1.825 18.244 6.074 1.00 0.00 N ATOM 375 CA HIS A 37 2.395 18.838 7.280 1.00 0.00 C ATOM 376 C HIS A 37 3.223 20.058 6.935 1.00 0.00 C ATOM 377 O HIS A 37 4.107 20.433 7.711 1.00 0.00 O ATOM 378 CB HIS A 37 3.280 17.795 8.025 1.00 0.00 C ATOM 379 CG HIS A 37 2.453 16.580 8.332 1.00 0.00 C ATOM 380 ND1 HIS A 37 1.065 16.614 8.334 1.00 0.00 N ATOM 381 CD2 HIS A 37 2.796 15.303 8.661 1.00 0.00 C ATOM 382 CE1 HIS A 37 0.632 15.389 8.656 1.00 0.00 C ATOM 383 NE2 HIS A 37 1.648 14.549 8.865 1.00 0.00 N ATOM 0 H HIS A 37 2.371 17.465 5.706 1.00 0.00 H new ATOM 0 HA HIS A 37 1.576 19.144 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.137 17.521 7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.673 18.225 8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.807 14.934 8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.409 15.115 8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.593 13.563 9.120 1.00 0.00 H new ATOM 391 N ALA A 38 2.939 20.692 5.779 1.00 0.00 N ATOM 392 CA ALA A 38 3.683 21.902 5.371 1.00 0.00 C ATOM 393 C ALA A 38 2.836 23.140 5.511 1.00 0.00 C ATOM 394 O ALA A 38 3.266 24.070 6.197 1.00 0.00 O ATOM 395 CB ALA A 38 4.133 21.867 3.871 1.00 0.00 C ATOM 0 H ALA A 38 2.216 20.395 5.124 1.00 0.00 H new ATOM 0 HA ALA A 38 4.552 21.924 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.674 22.783 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.783 21.008 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.255 21.786 3.230 1.00 0.00 H new ATOM 401 N ASP A 39 1.631 23.130 4.851 1.00 0.00 N ATOM 402 CA ASP A 39 0.662 24.300 4.825 1.00 0.00 C ATOM 403 C ASP A 39 1.233 25.508 5.601 1.00 0.00 C ATOM 404 O ASP A 39 0.619 26.034 6.519 1.00 0.00 O ATOM 405 CB ASP A 39 -0.719 23.898 5.406 1.00 0.00 C ATOM 406 CG ASP A 39 -0.568 23.453 6.864 1.00 0.00 C ATOM 407 OD1 ASP A 39 0.349 22.699 7.129 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.366 23.880 7.686 1.00 0.00 O ATOM 0 H ASP A 39 1.299 22.322 4.324 1.00 0.00 H new ATOM 0 HA ASP A 39 0.526 24.588 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.407 24.741 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.150 23.091 4.814 1.00 0.00 H new ATOM 413 N ALA A 40 2.493 25.857 5.267 1.00 0.00 N ATOM 414 CA ALA A 40 3.225 26.893 5.971 1.00 0.00 C ATOM 415 C ALA A 40 2.526 28.218 5.837 1.00 0.00 C ATOM 416 O ALA A 40 2.276 28.906 6.833 1.00 0.00 O ATOM 417 CB ALA A 40 4.668 27.000 5.417 1.00 0.00 C ATOM 0 H ALA A 40 3.015 25.423 4.506 1.00 0.00 H new ATOM 0 HA ALA A 40 3.268 26.626 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.207 27.781 5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.181 26.048 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.633 27.247 4.356 1.00 0.00 H new ATOM 423 N ASN A 41 2.211 28.573 4.586 1.00 0.00 N ATOM 424 CA ASN A 41 1.537 29.847 4.309 1.00 0.00 C ATOM 425 C ASN A 41 0.027 29.665 4.299 1.00 0.00 C ATOM 426 O ASN A 41 -0.704 30.647 4.395 1.00 0.00 O ATOM 427 CB ASN A 41 2.018 30.363 2.938 1.00 0.00 C ATOM 428 CG ASN A 41 3.540 30.502 2.946 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.246 29.681 2.361 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.086 31.488 3.599 1.00 0.00 N ATOM 0 H ASN A 41 2.408 28.006 3.761 1.00 0.00 H new ATOM 0 HA ASN A 41 1.782 30.568 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.710 29.675 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.556 31.326 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.101 31.581 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.498 32.167 4.083 1.00 0.00 H new ATOM 437 N ALA A 42 -0.432 28.416 4.193 1.00 0.00 N ATOM 438 CA ALA A 42 -1.874 28.116 4.188 1.00 0.00 C ATOM 439 C ALA A 42 -2.611 28.863 3.055 1.00 0.00 C ATOM 440 O ALA A 42 -3.575 29.594 3.307 1.00 0.00 O ATOM 441 CB ALA A 42 -2.480 28.493 5.565 1.00 0.00 C ATOM 0 H ALA A 42 0.168 27.595 4.110 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.001 27.049 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.547 28.272 5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.990 27.915 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.329 29.557 5.750 1.00 0.00 H new ATOM 447 N ASP A 43 -2.156 28.674 1.804 1.00 0.00 N ATOM 448 CA ASP A 43 -2.778 29.321 0.625 1.00 0.00 C ATOM 449 C ASP A 43 -3.711 28.347 -0.071 1.00 0.00 C ATOM 450 O ASP A 43 -4.590 28.751 -0.831 1.00 0.00 O ATOM 451 CB ASP A 43 -1.685 29.811 -0.342 1.00 0.00 C ATOM 452 CG ASP A 43 -0.753 30.776 0.396 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.258 31.588 1.159 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.448 30.689 0.195 1.00 0.00 O ATOM 0 H ASP A 43 -1.359 28.079 1.578 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.361 30.181 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.118 28.964 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.138 30.309 -1.199 1.00 0.00 H new ATOM 459 N GLN A 44 -3.519 27.066 0.215 1.00 0.00 N ATOM 460 CA GLN A 44 -4.345 25.987 -0.335 1.00 0.00 C ATOM 461 C GLN A 44 -4.063 25.803 -1.826 1.00 0.00 C ATOM 462 O GLN A 44 -4.731 25.018 -2.486 1.00 0.00 O ATOM 463 CB GLN A 44 -5.865 26.296 -0.105 1.00 0.00 C ATOM 464 CG GLN A 44 -6.718 25.007 -0.088 1.00 0.00 C ATOM 465 CD GLN A 44 -8.195 25.366 0.046 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.688 26.233 -0.673 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.918 24.758 0.929 1.00 0.00 N ATOM 0 H GLN A 44 -2.782 26.739 0.839 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.093 25.061 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.989 26.826 0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.224 26.959 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.554 24.439 -1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.413 24.369 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.502 24.040 1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.904 24.997 1.033 1.00 0.00 H new ATOM 476 N HIS A 45 -3.071 26.521 -2.359 1.00 0.00 N ATOM 477 CA HIS A 45 -2.690 26.434 -3.781 1.00 0.00 C ATOM 478 C HIS A 45 -1.237 26.018 -3.835 1.00 0.00 C ATOM 479 O HIS A 45 -0.405 26.539 -3.096 1.00 0.00 O ATOM 480 CB HIS A 45 -2.855 27.820 -4.472 1.00 0.00 C ATOM 481 CG HIS A 45 -4.284 28.053 -4.845 1.00 0.00 C ATOM 482 ND1 HIS A 45 -4.670 28.287 -6.151 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.425 28.052 -4.099 1.00 0.00 C ATOM 484 CE1 HIS A 45 -5.999 28.415 -6.155 1.00 0.00 C ATOM 485 NE2 HIS A 45 -6.514 28.281 -4.927 1.00 0.00 N ATOM 0 H HIS A 45 -2.507 27.180 -1.822 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.326 25.715 -4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.515 28.610 -3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.229 27.866 -5.363 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.473 27.897 -3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.587 28.604 -7.041 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.496 28.336 -4.658 1.00 0.00 H new ATOM 493 N LEU A 46 -0.941 25.051 -4.712 1.00 0.00 N ATOM 494 CA LEU A 46 0.405 24.532 -4.868 1.00 0.00 C ATOM 495 C LEU A 46 1.166 25.416 -5.833 1.00 0.00 C ATOM 496 O LEU A 46 0.851 25.471 -7.022 1.00 0.00 O ATOM 497 CB LEU A 46 0.325 23.075 -5.405 1.00 0.00 C ATOM 498 CG LEU A 46 0.000 22.060 -4.255 1.00 0.00 C ATOM 499 CD1 LEU A 46 1.172 22.014 -3.194 1.00 0.00 C ATOM 500 CD2 LEU A 46 -1.366 22.426 -3.574 1.00 0.00 C ATOM 0 H LEU A 46 -1.629 24.615 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 46 0.926 24.527 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.442 23.011 -6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.271 22.806 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.091 21.064 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.922 21.303 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.095 21.704 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.308 23.004 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.578 21.713 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.306 23.430 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.164 22.390 -4.316 1.00 0.00 H new ATOM 512 N ASP A 47 2.190 26.067 -5.291 1.00 0.00 N ATOM 513 CA ASP A 47 3.059 26.931 -6.059 1.00 0.00 C ATOM 514 C ASP A 47 4.369 26.208 -6.282 1.00 0.00 C ATOM 515 O ASP A 47 4.923 25.599 -5.362 1.00 0.00 O ATOM 516 CB ASP A 47 3.290 28.247 -5.292 1.00 0.00 C ATOM 517 CG ASP A 47 1.943 28.932 -5.046 1.00 0.00 C ATOM 518 OD1 ASP A 47 1.094 28.859 -5.923 1.00 0.00 O ATOM 519 OD2 ASP A 47 1.778 29.513 -3.987 1.00 0.00 O ATOM 0 H ASP A 47 2.436 26.005 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 47 2.606 27.172 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.787 28.046 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.946 28.904 -5.863 1.00 0.00 H new ATOM 524 N PHE A 48 4.847 26.266 -7.519 1.00 0.00 N ATOM 525 CA PHE A 48 6.094 25.608 -7.926 1.00 0.00 C ATOM 526 C PHE A 48 7.210 25.836 -6.909 1.00 0.00 C ATOM 527 O PHE A 48 7.937 24.918 -6.559 1.00 0.00 O ATOM 528 CB PHE A 48 6.550 26.173 -9.295 1.00 0.00 C ATOM 529 CG PHE A 48 7.518 25.180 -9.955 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.998 24.016 -10.553 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.917 25.397 -9.959 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.851 23.086 -11.151 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.768 24.457 -10.562 1.00 0.00 C ATOM 534 CZ PHE A 48 9.233 23.306 -11.156 1.00 0.00 C ATOM 0 H PHE A 48 4.383 26.771 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 48 5.899 24.538 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.686 26.340 -9.939 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.037 27.138 -9.159 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.932 23.841 -10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.329 26.283 -9.499 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.444 22.197 -11.610 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.835 24.621 -10.568 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.890 22.585 -11.620 1.00 0.00 H new ATOM 544 N ASP A 49 7.329 27.085 -6.444 1.00 0.00 N ATOM 545 CA ASP A 49 8.367 27.448 -5.480 1.00 0.00 C ATOM 546 C ASP A 49 8.318 26.535 -4.255 1.00 0.00 C ATOM 547 O ASP A 49 9.325 25.947 -3.875 1.00 0.00 O ATOM 548 CB ASP A 49 8.171 28.920 -5.037 1.00 0.00 C ATOM 549 CG ASP A 49 9.321 29.364 -4.116 1.00 0.00 C ATOM 550 OD1 ASP A 49 10.429 29.474 -4.609 1.00 0.00 O ATOM 551 OD2 ASP A 49 9.076 29.561 -2.935 1.00 0.00 O ATOM 0 H ASP A 49 6.721 27.856 -6.720 1.00 0.00 H new ATOM 0 HA ASP A 49 9.339 27.331 -5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.129 29.567 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.219 29.026 -4.517 1.00 0.00 H new ATOM 556 N GLU A 50 7.134 26.432 -3.655 1.00 0.00 N ATOM 557 CA GLU A 50 6.947 25.601 -2.467 1.00 0.00 C ATOM 558 C GLU A 50 7.227 24.142 -2.782 1.00 0.00 C ATOM 559 O GLU A 50 8.011 23.496 -2.099 1.00 0.00 O ATOM 560 CB GLU A 50 5.490 25.749 -1.953 1.00 0.00 C ATOM 561 CG GLU A 50 5.189 27.224 -1.575 1.00 0.00 C ATOM 562 CD GLU A 50 6.052 27.673 -0.385 1.00 0.00 C ATOM 563 OE1 GLU A 50 6.012 26.994 0.626 1.00 0.00 O ATOM 564 OE2 GLU A 50 6.750 28.665 -0.514 1.00 0.00 O ATOM 0 H GLU A 50 6.291 26.912 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 50 7.646 25.932 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.792 25.416 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.338 25.108 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.381 27.869 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.134 27.331 -1.325 1.00 0.00 H new ATOM 571 N TRP A 51 6.586 23.628 -3.830 1.00 0.00 N ATOM 572 CA TRP A 51 6.763 22.230 -4.204 1.00 0.00 C ATOM 573 C TRP A 51 8.213 21.937 -4.540 1.00 0.00 C ATOM 574 O TRP A 51 8.842 21.057 -3.940 1.00 0.00 O ATOM 575 CB TRP A 51 5.872 21.900 -5.422 1.00 0.00 C ATOM 576 CG TRP A 51 5.946 20.425 -5.725 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.966 19.815 -6.366 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.994 19.389 -5.385 1.00 0.00 C ATOM 579 NE1 TRP A 51 6.701 18.463 -6.435 1.00 0.00 N ATOM 580 CE2 TRP A 51 5.487 18.157 -5.860 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.761 19.401 -4.726 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.779 16.969 -5.687 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.036 18.211 -4.557 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.542 16.998 -5.038 1.00 0.00 C ATOM 0 H TRP A 51 5.947 24.153 -4.428 1.00 0.00 H new ATOM 0 HA TRP A 51 6.473 21.609 -3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.841 22.187 -5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.198 22.475 -6.289 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.844 20.305 -6.760 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.325 17.776 -6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.364 20.331 -4.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 5.182 16.036 -6.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.081 18.232 -4.052 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.978 16.086 -4.908 1.00 0.00 H new ATOM 595 N ARG A 52 8.711 22.642 -5.544 1.00 0.00 N ATOM 596 CA ARG A 52 10.065 22.431 -6.018 1.00 0.00 C ATOM 597 C ARG A 52 11.062 22.466 -4.880 1.00 0.00 C ATOM 598 O ARG A 52 11.853 21.564 -4.742 1.00 0.00 O ATOM 599 CB ARG A 52 10.454 23.533 -7.041 1.00 0.00 C ATOM 600 CG ARG A 52 11.919 23.300 -7.631 1.00 0.00 C ATOM 601 CD ARG A 52 12.949 24.264 -6.998 1.00 0.00 C ATOM 602 NE ARG A 52 12.588 25.643 -7.340 1.00 0.00 N ATOM 603 CZ ARG A 52 13.330 26.685 -6.955 1.00 0.00 C ATOM 604 NH1 ARG A 52 14.405 26.484 -6.240 1.00 0.00 N ATOM 605 NH2 ARG A 52 12.977 27.894 -7.283 1.00 0.00 N ATOM 0 H ARG A 52 8.195 23.365 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 52 10.092 21.448 -6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.731 23.544 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.407 24.510 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.225 22.270 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.903 23.442 -8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.967 24.137 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.951 24.036 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 52 11.745 25.812 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.674 25.535 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.975 27.276 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.133 28.047 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.545 28.689 -6.988 1.00 0.00 H new ATOM 619 N GLN A 53 10.979 23.514 -4.070 1.00 0.00 N ATOM 620 CA GLN A 53 11.902 23.684 -2.946 1.00 0.00 C ATOM 621 C GLN A 53 11.709 22.608 -1.894 1.00 0.00 C ATOM 622 O GLN A 53 12.683 22.116 -1.322 1.00 0.00 O ATOM 623 CB GLN A 53 11.708 25.084 -2.298 1.00 0.00 C ATOM 624 CG GLN A 53 12.867 25.416 -1.302 1.00 0.00 C ATOM 625 CD GLN A 53 14.184 25.579 -2.078 1.00 0.00 C ATOM 626 OE1 GLN A 53 15.096 24.766 -1.937 1.00 0.00 O ATOM 627 NE2 GLN A 53 14.302 26.568 -2.914 1.00 0.00 N ATOM 0 H GLN A 53 10.287 24.257 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 53 12.915 23.598 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.667 25.845 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.754 25.114 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.639 26.331 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.964 24.620 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.540 27.237 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.157 26.675 -3.460 1.00 0.00 H new ATOM 636 N GLU A 54 10.452 22.273 -1.630 1.00 0.00 N ATOM 637 CA GLU A 54 10.144 21.287 -0.611 1.00 0.00 C ATOM 638 C GLU A 54 10.762 19.935 -0.947 1.00 0.00 C ATOM 639 O GLU A 54 11.440 19.325 -0.125 1.00 0.00 O ATOM 640 CB GLU A 54 8.606 21.126 -0.465 1.00 0.00 C ATOM 641 CG GLU A 54 8.236 20.144 0.688 1.00 0.00 C ATOM 642 CD GLU A 54 8.694 20.703 2.049 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.679 21.918 2.198 1.00 0.00 O ATOM 644 OE2 GLU A 54 9.058 19.921 2.909 1.00 0.00 O ATOM 0 H GLU A 54 9.639 22.667 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 54 10.567 21.640 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.155 22.099 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.188 20.760 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.158 19.980 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.704 19.175 0.511 1.00 0.00 H new ATOM 651 N LEU A 55 10.467 19.468 -2.142 1.00 0.00 N ATOM 652 CA LEU A 55 10.918 18.160 -2.603 1.00 0.00 C ATOM 653 C LEU A 55 12.374 18.166 -2.956 1.00 0.00 C ATOM 654 O LEU A 55 13.031 17.139 -2.882 1.00 0.00 O ATOM 655 CB LEU A 55 10.088 17.724 -3.868 1.00 0.00 C ATOM 656 CG LEU A 55 9.242 16.428 -3.605 1.00 0.00 C ATOM 657 CD1 LEU A 55 8.174 16.242 -4.734 1.00 0.00 C ATOM 658 CD2 LEU A 55 10.192 15.178 -3.515 1.00 0.00 C ATOM 0 H LEU A 55 9.908 19.980 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 55 10.765 17.455 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.423 18.536 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.766 17.550 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 55 8.716 16.529 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.594 15.340 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.508 17.105 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.675 16.151 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.598 14.282 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.737 15.067 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.900 15.317 -2.698 1.00 0.00 H new ATOM 670 N LYS A 56 12.868 19.308 -3.369 1.00 0.00 N ATOM 671 CA LYS A 56 14.250 19.396 -3.801 1.00 0.00 C ATOM 672 C LYS A 56 15.235 18.909 -2.748 1.00 0.00 C ATOM 673 O LYS A 56 16.150 18.144 -3.061 1.00 0.00 O ATOM 674 CB LYS A 56 14.594 20.850 -4.161 1.00 0.00 C ATOM 675 CG LYS A 56 16.055 20.962 -4.676 1.00 0.00 C ATOM 676 CD LYS A 56 16.376 22.409 -5.099 1.00 0.00 C ATOM 677 CE LYS A 56 17.823 22.492 -5.616 1.00 0.00 C ATOM 678 NZ LYS A 56 18.097 23.878 -6.020 1.00 0.00 N ATOM 0 H LYS A 56 12.345 20.182 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 56 14.344 18.745 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.906 21.212 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.463 21.486 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.746 20.645 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.200 20.290 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.683 22.733 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 56 16.243 23.083 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.521 22.179 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.962 21.817 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.073 23.950 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.436 24.158 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.977 24.508 -5.202 1.00 0.00 H new ATOM 692 N CYS A 57 15.072 19.375 -1.521 1.00 0.00 N ATOM 693 CA CYS A 57 15.995 19.025 -0.435 1.00 0.00 C ATOM 694 C CYS A 57 16.040 17.519 -0.199 1.00 0.00 C ATOM 695 O CYS A 57 16.820 17.057 0.624 1.00 0.00 O ATOM 696 CB CYS A 57 15.553 19.755 0.852 1.00 0.00 C ATOM 697 SG CYS A 57 13.903 19.195 1.346 1.00 0.00 S ATOM 0 H CYS A 57 14.312 19.997 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 57 17.000 19.339 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.267 19.562 1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.546 20.832 0.685 1.00 0.00 H new ATOM 0 HG CYS A 57 13.053 19.458 0.398 1.00 0.00 H new ATOM 703 N ARG A 58 15.202 16.770 -0.923 1.00 0.00 N ATOM 704 CA ARG A 58 15.131 15.307 -0.785 1.00 0.00 C ATOM 705 C ARG A 58 15.900 14.596 -1.896 1.00 0.00 C ATOM 706 O ARG A 58 15.761 13.390 -2.089 1.00 0.00 O ATOM 707 CB ARG A 58 13.653 14.867 -0.779 1.00 0.00 C ATOM 708 CG ARG A 58 12.841 15.690 0.283 1.00 0.00 C ATOM 709 CD ARG A 58 11.600 14.898 0.738 1.00 0.00 C ATOM 710 NE ARG A 58 12.065 13.705 1.473 1.00 0.00 N ATOM 711 CZ ARG A 58 12.541 13.771 2.724 1.00 0.00 C ATOM 712 NH1 ARG A 58 12.629 14.924 3.331 1.00 0.00 N ATOM 713 NH2 ARG A 58 12.934 12.685 3.334 1.00 0.00 N ATOM 0 H ARG A 58 14.559 17.153 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 58 15.600 15.026 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.220 15.011 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.585 13.803 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.474 15.913 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.535 16.645 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.966 15.515 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.998 14.605 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 58 12.022 12.796 1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.335 15.776 2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.991 14.973 4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.879 11.784 2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.296 12.737 4.286 1.00 0.00 H new ATOM 727 N GLY A 59 16.709 15.357 -2.617 1.00 0.00 N ATOM 728 CA GLY A 59 17.541 14.837 -3.720 1.00 0.00 C ATOM 729 C GLY A 59 16.778 14.840 -5.035 1.00 0.00 C ATOM 730 O GLY A 59 17.381 14.822 -6.104 1.00 0.00 O ATOM 0 H GLY A 59 16.816 16.359 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.441 15.445 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.865 13.823 -3.487 1.00 0.00 H new ATOM 734 N HIS A 60 15.443 14.872 -4.948 1.00 0.00 N ATOM 735 CA HIS A 60 14.596 14.897 -6.153 1.00 0.00 C ATOM 736 C HIS A 60 14.866 16.198 -6.901 1.00 0.00 C ATOM 737 O HIS A 60 15.076 17.225 -6.281 1.00 0.00 O ATOM 738 CB HIS A 60 13.102 14.814 -5.765 1.00 0.00 C ATOM 739 CG HIS A 60 12.766 13.421 -5.303 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.148 12.506 -6.136 1.00 0.00 N ATOM 741 CD2 HIS A 60 12.975 12.774 -4.119 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.006 11.366 -5.445 1.00 0.00 C ATOM 743 NE2 HIS A 60 12.495 11.474 -4.207 1.00 0.00 N ATOM 0 H HIS A 60 14.928 14.881 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 60 14.831 14.041 -6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.883 15.531 -4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.481 15.082 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 60 13.442 13.207 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.552 10.470 -5.841 1.00 0.00 H new ATOM 0 HE2 HIS A 60 12.512 10.756 -3.482 1.00 0.00 H new ATOM 751 N ALA A 61 14.880 16.145 -8.236 1.00 0.00 N ATOM 752 CA ALA A 61 15.131 17.328 -9.067 1.00 0.00 C ATOM 753 C ALA A 61 13.804 17.953 -9.437 1.00 0.00 C ATOM 754 O ALA A 61 12.761 17.356 -9.224 1.00 0.00 O ATOM 755 CB ALA A 61 15.902 16.907 -10.334 1.00 0.00 C ATOM 0 H ALA A 61 14.719 15.290 -8.768 1.00 0.00 H new ATOM 0 HA ALA A 61 15.730 18.056 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.090 17.784 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.851 16.454 -10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.310 16.185 -10.897 1.00 0.00 H new ATOM 761 N ASP A 62 13.865 19.167 -9.982 1.00 0.00 N ATOM 762 CA ASP A 62 12.674 19.913 -10.396 1.00 0.00 C ATOM 763 C ASP A 62 12.124 19.374 -11.722 1.00 0.00 C ATOM 764 O ASP A 62 10.924 19.419 -11.976 1.00 0.00 O ATOM 765 CB ASP A 62 13.037 21.407 -10.547 1.00 0.00 C ATOM 766 CG ASP A 62 14.104 21.614 -11.630 1.00 0.00 C ATOM 767 OD1 ASP A 62 15.000 20.791 -11.712 1.00 0.00 O ATOM 768 OD2 ASP A 62 14.004 22.589 -12.361 1.00 0.00 O ATOM 0 H ASP A 62 14.741 19.663 -10.150 1.00 0.00 H new ATOM 0 HA ASP A 62 11.903 19.794 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.143 21.977 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.402 21.793 -9.595 1.00 0.00 H new ATOM 773 N ALA A 63 13.041 18.921 -12.580 1.00 0.00 N ATOM 774 CA ALA A 63 12.683 18.428 -13.910 1.00 0.00 C ATOM 775 C ALA A 63 11.906 17.116 -13.879 1.00 0.00 C ATOM 776 O ALA A 63 10.908 16.962 -14.588 1.00 0.00 O ATOM 777 CB ALA A 63 13.961 18.216 -14.756 1.00 0.00 C ATOM 0 H ALA A 63 14.040 18.886 -12.376 1.00 0.00 H new ATOM 0 HA ALA A 63 12.037 19.188 -14.350 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.686 17.849 -15.745 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.493 19.162 -14.855 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.606 17.487 -14.265 1.00 0.00 H new ATOM 783 N ASP A 64 12.385 16.160 -13.089 1.00 0.00 N ATOM 784 CA ASP A 64 11.763 14.836 -13.011 1.00 0.00 C ATOM 785 C ASP A 64 10.348 14.894 -12.446 1.00 0.00 C ATOM 786 O ASP A 64 9.462 14.178 -12.917 1.00 0.00 O ATOM 787 CB ASP A 64 12.630 13.930 -12.103 1.00 0.00 C ATOM 788 CG ASP A 64 14.035 13.761 -12.686 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.141 13.631 -13.897 1.00 0.00 O ATOM 790 OD2 ASP A 64 14.984 13.774 -11.919 1.00 0.00 O ATOM 0 H ASP A 64 13.204 16.275 -12.491 1.00 0.00 H new ATOM 0 HA ASP A 64 11.700 14.437 -14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.695 14.364 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.156 12.954 -11.996 1.00 0.00 H new ATOM 795 N ILE A 65 10.149 15.721 -11.425 1.00 0.00 N ATOM 796 CA ILE A 65 8.852 15.844 -10.767 1.00 0.00 C ATOM 797 C ILE A 65 7.899 16.659 -11.605 1.00 0.00 C ATOM 798 O ILE A 65 6.704 16.578 -11.412 1.00 0.00 O ATOM 799 CB ILE A 65 9.042 16.495 -9.370 1.00 0.00 C ATOM 800 CG1 ILE A 65 9.625 17.950 -9.514 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.008 15.609 -8.524 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.861 18.616 -8.143 1.00 0.00 C ATOM 0 H ILE A 65 10.875 16.320 -11.033 1.00 0.00 H new ATOM 0 HA ILE A 65 8.421 14.850 -10.646 1.00 0.00 H new ATOM 0 HB ILE A 65 8.076 16.565 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.565 17.911 -10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.937 18.560 -10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.147 16.059 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.582 14.612 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.971 15.536 -9.029 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.264 19.618 -8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.917 18.680 -7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.570 18.021 -7.567 1.00 0.00 H new ATOM 814 N GLU A 66 8.444 17.486 -12.493 1.00 0.00 N ATOM 815 CA GLU A 66 7.606 18.365 -13.319 1.00 0.00 C ATOM 816 C GLU A 66 6.546 17.570 -14.089 1.00 0.00 C ATOM 817 O GLU A 66 5.401 18.010 -14.212 1.00 0.00 O ATOM 818 CB GLU A 66 8.484 19.141 -14.327 1.00 0.00 C ATOM 819 CG GLU A 66 7.665 20.242 -15.065 1.00 0.00 C ATOM 820 CD GLU A 66 8.532 21.016 -16.068 1.00 0.00 C ATOM 821 OE1 GLU A 66 9.747 20.949 -15.960 1.00 0.00 O ATOM 822 OE2 GLU A 66 7.958 21.653 -16.935 1.00 0.00 O ATOM 0 H GLU A 66 9.447 17.570 -12.662 1.00 0.00 H new ATOM 0 HA GLU A 66 7.101 19.061 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.323 19.599 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.903 18.447 -15.056 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.826 19.783 -15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.246 20.935 -14.335 1.00 0.00 H new ATOM 829 N ALA A 67 6.949 16.417 -14.607 1.00 0.00 N ATOM 830 CA ALA A 67 6.052 15.562 -15.379 1.00 0.00 C ATOM 831 C ALA A 67 5.028 14.890 -14.476 1.00 0.00 C ATOM 832 O ALA A 67 3.903 14.630 -14.896 1.00 0.00 O ATOM 833 CB ALA A 67 6.881 14.484 -16.121 1.00 0.00 C ATOM 0 H ALA A 67 7.895 16.050 -14.507 1.00 0.00 H new ATOM 0 HA ALA A 67 5.518 16.181 -16.100 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.213 13.845 -16.698 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.590 14.968 -16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.425 13.879 -15.395 1.00 0.00 H new ATOM 839 N VAL A 68 5.432 14.608 -13.239 1.00 0.00 N ATOM 840 CA VAL A 68 4.558 13.951 -12.252 1.00 0.00 C ATOM 841 C VAL A 68 3.657 14.937 -11.507 1.00 0.00 C ATOM 842 O VAL A 68 2.510 14.630 -11.182 1.00 0.00 O ATOM 843 CB VAL A 68 5.416 13.141 -11.228 1.00 0.00 C ATOM 844 CG1 VAL A 68 4.495 12.296 -10.285 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.395 12.205 -11.993 1.00 0.00 C ATOM 0 H VAL A 68 6.365 14.824 -12.888 1.00 0.00 H new ATOM 0 HA VAL A 68 3.906 13.277 -12.808 1.00 0.00 H new ATOM 0 HB VAL A 68 5.986 13.840 -10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.111 11.739 -9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.827 12.961 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.906 11.599 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.993 11.641 -11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.826 11.514 -12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.053 12.803 -12.623 1.00 0.00 H new ATOM 855 N PHE A 69 4.211 16.100 -11.216 1.00 0.00 N ATOM 856 CA PHE A 69 3.515 17.139 -10.470 1.00 0.00 C ATOM 857 C PHE A 69 2.458 17.840 -11.322 1.00 0.00 C ATOM 858 O PHE A 69 1.402 18.221 -10.811 1.00 0.00 O ATOM 859 CB PHE A 69 4.542 18.187 -9.967 1.00 0.00 C ATOM 860 CG PHE A 69 3.791 19.434 -9.451 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.098 19.380 -8.228 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.730 20.614 -10.236 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.362 20.491 -7.793 1.00 0.00 C ATOM 864 CE2 PHE A 69 3.001 21.720 -9.789 1.00 0.00 C ATOM 865 CZ PHE A 69 2.318 21.659 -8.574 1.00 0.00 C ATOM 0 H PHE A 69 5.160 16.354 -11.490 1.00 0.00 H new ATOM 0 HA PHE A 69 3.009 16.664 -9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.153 17.761 -9.171 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.220 18.465 -10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.133 18.484 -7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.249 20.658 -11.182 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.827 20.449 -6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.967 22.621 -10.384 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.753 22.513 -8.232 1.00 0.00 H new ATOM 875 N ALA A 70 2.759 18.030 -12.594 1.00 0.00 N ATOM 876 CA ALA A 70 1.871 18.720 -13.533 1.00 0.00 C ATOM 877 C ALA A 70 0.741 17.830 -13.992 1.00 0.00 C ATOM 878 O ALA A 70 -0.239 18.308 -14.558 1.00 0.00 O ATOM 879 CB ALA A 70 2.673 19.203 -14.760 1.00 0.00 C ATOM 0 H ALA A 70 3.631 17.710 -13.015 1.00 0.00 H new ATOM 0 HA ALA A 70 1.440 19.574 -13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.005 19.715 -15.453 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.455 19.890 -14.436 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.126 18.346 -15.259 1.00 0.00 H new ATOM 885 N LYS A 71 0.890 16.542 -13.771 1.00 0.00 N ATOM 886 CA LYS A 71 -0.106 15.555 -14.190 1.00 0.00 C ATOM 887 C LYS A 71 -1.495 15.847 -13.613 1.00 0.00 C ATOM 888 O LYS A 71 -2.475 15.243 -14.026 1.00 0.00 O ATOM 889 CB LYS A 71 0.342 14.132 -13.754 1.00 0.00 C ATOM 890 CG LYS A 71 -0.355 13.044 -14.645 1.00 0.00 C ATOM 891 CD LYS A 71 -0.159 11.621 -14.069 1.00 0.00 C ATOM 892 CE LYS A 71 1.347 11.246 -14.016 1.00 0.00 C ATOM 893 NZ LYS A 71 1.984 11.582 -15.322 1.00 0.00 N ATOM 0 H LYS A 71 1.700 16.141 -13.298 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.178 15.613 -15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.425 14.042 -13.839 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.090 13.969 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.420 13.263 -14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.051 13.087 -15.656 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.586 11.568 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.696 10.899 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.840 11.786 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.462 10.183 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.901 11.098 -15.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.366 11.273 -16.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.129 12.610 -15.383 1.00 0.00 H new ATOM 907 N TYR A 72 -1.564 16.756 -12.640 1.00 0.00 N ATOM 908 CA TYR A 72 -2.833 17.110 -11.981 1.00 0.00 C ATOM 909 C TYR A 72 -3.319 18.476 -12.435 1.00 0.00 C ATOM 910 O TYR A 72 -4.396 18.915 -12.026 1.00 0.00 O ATOM 911 CB TYR A 72 -2.593 17.121 -10.457 1.00 0.00 C ATOM 912 CG TYR A 72 -2.095 15.728 -10.029 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.997 14.641 -10.013 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.746 15.512 -9.657 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.560 13.366 -9.625 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.319 14.228 -9.273 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.222 13.164 -9.256 1.00 0.00 C ATOM 918 OH TYR A 72 -0.797 11.914 -8.865 1.00 0.00 O ATOM 0 H TYR A 72 -0.755 17.266 -12.286 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.598 16.380 -12.246 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.858 17.883 -10.195 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.514 17.372 -9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.027 14.792 -10.301 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.045 16.333 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.254 12.539 -9.610 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.711 14.065 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 72 0.157 11.947 -8.644 1.00 0.00 H new ATOM 928 N ASP A 73 -2.536 19.136 -13.288 1.00 0.00 N ATOM 929 CA ASP A 73 -2.913 20.452 -13.806 1.00 0.00 C ATOM 930 C ASP A 73 -3.809 20.251 -15.016 1.00 0.00 C ATOM 931 O ASP A 73 -3.537 19.392 -15.859 1.00 0.00 O ATOM 932 CB ASP A 73 -1.660 21.256 -14.200 1.00 0.00 C ATOM 933 CG ASP A 73 -0.740 21.417 -12.992 1.00 0.00 C ATOM 934 OD1 ASP A 73 -0.695 20.513 -12.168 1.00 0.00 O ATOM 935 OD2 ASP A 73 -0.098 22.441 -12.905 1.00 0.00 O ATOM 0 H ASP A 73 -1.643 18.785 -13.633 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.443 21.013 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.130 20.747 -15.005 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.951 22.236 -14.579 1.00 0.00 H new ATOM 940 N VAL A 74 -4.878 21.033 -15.086 1.00 0.00 N ATOM 941 CA VAL A 74 -5.851 20.949 -16.170 1.00 0.00 C ATOM 942 C VAL A 74 -5.256 21.485 -17.473 1.00 0.00 C ATOM 943 O VAL A 74 -5.183 20.771 -18.479 1.00 0.00 O ATOM 944 CB VAL A 74 -7.154 21.781 -15.784 1.00 0.00 C ATOM 945 CG1 VAL A 74 -8.240 20.842 -15.175 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.815 22.935 -14.763 1.00 0.00 C ATOM 0 H VAL A 74 -5.097 21.746 -14.391 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.119 19.903 -16.320 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.540 22.232 -16.698 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.123 21.426 -14.917 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.511 20.078 -15.904 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.846 20.364 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.725 23.484 -14.519 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.396 22.505 -13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.089 23.615 -15.210 1.00 0.00 H new ATOM 956 N ASP A 75 -4.833 22.757 -17.455 1.00 0.00 N ATOM 957 CA ASP A 75 -4.228 23.430 -18.617 1.00 0.00 C ATOM 958 C ASP A 75 -2.785 23.823 -18.320 1.00 0.00 C ATOM 959 O ASP A 75 -2.284 24.812 -18.873 1.00 0.00 O ATOM 960 CB ASP A 75 -5.081 24.672 -18.981 1.00 0.00 C ATOM 961 CG ASP A 75 -4.645 25.220 -20.345 1.00 0.00 C ATOM 962 OD1 ASP A 75 -4.814 24.499 -21.314 1.00 0.00 O ATOM 963 OD2 ASP A 75 -4.141 26.328 -20.398 1.00 0.00 O ATOM 0 H ASP A 75 -4.901 23.353 -16.630 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.211 22.747 -19.466 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.137 24.404 -19.007 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.966 25.440 -18.216 1.00 0.00 H new ATOM 968 N GLY A 76 -2.118 23.081 -17.421 1.00 0.00 N ATOM 969 CA GLY A 76 -0.736 23.412 -17.045 1.00 0.00 C ATOM 970 C GLY A 76 -0.697 24.796 -16.399 1.00 0.00 C ATOM 971 O GLY A 76 0.202 25.598 -16.670 1.00 0.00 O ATOM 0 H GLY A 76 -2.505 22.263 -16.949 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.348 22.665 -16.352 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.094 23.393 -17.926 1.00 0.00 H new ATOM 975 N ASP A 77 -1.719 25.089 -15.563 1.00 0.00 N ATOM 976 CA ASP A 77 -1.816 26.403 -14.902 1.00 0.00 C ATOM 977 C ASP A 77 -0.799 26.510 -13.786 1.00 0.00 C ATOM 978 O ASP A 77 -0.543 27.611 -13.323 1.00 0.00 O ATOM 979 CB ASP A 77 -3.242 26.600 -14.329 1.00 0.00 C ATOM 980 CG ASP A 77 -3.653 25.383 -13.487 1.00 0.00 C ATOM 981 OD1 ASP A 77 -2.789 24.798 -12.847 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.829 25.060 -13.486 1.00 0.00 O ATOM 0 H ASP A 77 -2.475 24.443 -15.335 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.612 27.179 -15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.274 27.501 -13.717 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.952 26.743 -15.144 1.00 0.00 H new ATOM 987 N ARG A 78 -0.238 25.362 -13.373 1.00 0.00 N ATOM 988 CA ARG A 78 0.787 25.294 -12.299 1.00 0.00 C ATOM 989 C ARG A 78 0.175 25.481 -10.928 1.00 0.00 C ATOM 990 O ARG A 78 0.876 25.438 -9.920 1.00 0.00 O ATOM 991 CB ARG A 78 1.882 26.383 -12.541 1.00 0.00 C ATOM 992 CG ARG A 78 2.505 26.187 -13.971 1.00 0.00 C ATOM 993 CD ARG A 78 3.695 25.210 -13.909 1.00 0.00 C ATOM 994 NE ARG A 78 4.160 24.921 -15.258 1.00 0.00 N ATOM 995 CZ ARG A 78 4.829 25.820 -15.984 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.066 27.016 -15.503 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.235 25.503 -17.171 1.00 0.00 N ATOM 0 H ARG A 78 -0.476 24.452 -13.768 1.00 0.00 H new ATOM 0 HA ARG A 78 1.238 24.302 -12.332 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.446 27.378 -12.455 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.659 26.309 -11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.748 25.805 -14.655 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.835 27.148 -14.366 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.503 25.643 -13.320 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.396 24.288 -13.411 1.00 0.00 H new ATOM 0 HE ARG A 78 3.969 24.004 -15.661 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.739 27.264 -14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.578 27.698 -16.062 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.043 24.573 -17.544 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.747 26.183 -17.733 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.136 25.675 -10.894 1.00 0.00 N ATOM 1012 CA VAL A 79 -1.864 25.875 -9.629 1.00 0.00 C ATOM 1013 C VAL A 79 -3.270 25.311 -9.747 1.00 0.00 C ATOM 1014 O VAL A 79 -3.974 25.582 -10.720 1.00 0.00 O ATOM 1015 CB VAL A 79 -1.925 27.412 -9.269 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -0.777 27.795 -8.290 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -1.822 28.271 -10.576 1.00 0.00 C ATOM 0 H VAL A 79 -1.727 25.700 -11.725 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.336 25.351 -8.832 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.878 27.614 -8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.838 28.858 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.873 27.215 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.185 27.581 -8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.865 29.330 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.879 28.057 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.651 28.024 -11.240 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.693 24.564 -8.745 1.00 0.00 N ATOM 1028 CA LEU A 80 -5.033 23.997 -8.689 1.00 0.00 C ATOM 1029 C LEU A 80 -5.511 24.070 -7.235 1.00 0.00 C ATOM 1030 O LEU A 80 -4.768 23.722 -6.313 1.00 0.00 O ATOM 1031 CB LEU A 80 -5.015 22.533 -9.193 1.00 0.00 C ATOM 1032 CG LEU A 80 -3.686 21.786 -8.726 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -3.895 20.255 -8.738 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.415 22.190 -9.608 1.00 0.00 C ATOM 0 H LEU A 80 -3.114 24.330 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.714 24.555 -9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.888 22.003 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.082 22.518 -10.281 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.478 22.109 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.978 19.760 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.706 19.993 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.148 19.930 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.537 21.653 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.598 21.929 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.243 23.263 -9.527 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.749 24.501 -7.039 1.00 0.00 N ATOM 1047 CA ASP A 81 -7.349 24.621 -5.714 1.00 0.00 C ATOM 1048 C ASP A 81 -7.995 23.300 -5.316 1.00 0.00 C ATOM 1049 O ASP A 81 -7.826 22.281 -5.980 1.00 0.00 O ATOM 1050 CB ASP A 81 -8.414 25.743 -5.754 1.00 0.00 C ATOM 1051 CG ASP A 81 -9.632 25.349 -6.601 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -9.494 25.310 -7.807 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -10.682 25.107 -6.021 1.00 0.00 O ATOM 0 H ASP A 81 -7.371 24.779 -7.798 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.582 24.866 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.737 25.972 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.969 26.651 -6.160 1.00 0.00 H new ATOM 1058 N ALA A 82 -8.784 23.359 -4.244 1.00 0.00 N ATOM 1059 CA ALA A 82 -9.541 22.217 -3.719 1.00 0.00 C ATOM 1060 C ALA A 82 -10.326 21.511 -4.831 1.00 0.00 C ATOM 1061 O ALA A 82 -10.826 20.411 -4.638 1.00 0.00 O ATOM 1062 CB ALA A 82 -10.520 22.682 -2.614 1.00 0.00 C ATOM 0 H ALA A 82 -8.919 24.214 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.824 21.512 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.074 21.824 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.959 23.140 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.217 23.410 -3.029 1.00 0.00 H new ATOM 1068 N GLU A 83 -10.456 22.192 -5.981 1.00 0.00 N ATOM 1069 CA GLU A 83 -11.221 21.636 -7.092 1.00 0.00 C ATOM 1070 C GLU A 83 -10.525 20.415 -7.701 1.00 0.00 C ATOM 1071 O GLU A 83 -11.060 19.311 -7.666 1.00 0.00 O ATOM 1072 CB GLU A 83 -11.379 22.731 -8.180 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.345 22.271 -9.308 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.573 23.371 -10.351 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.804 24.319 -10.382 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -13.523 23.242 -11.103 1.00 0.00 O ATOM 0 H GLU A 83 -10.048 23.110 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.193 21.315 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.757 23.647 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.404 22.966 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.937 21.386 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.301 21.981 -8.871 1.00 0.00 H new ATOM 1083 N GLU A 84 -9.324 20.627 -8.243 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.519 19.548 -8.864 1.00 0.00 C ATOM 1085 C GLU A 84 -7.675 18.828 -7.836 1.00 0.00 C ATOM 1086 O GLU A 84 -7.229 17.697 -8.056 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.608 20.108 -10.024 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.915 19.416 -11.376 1.00 0.00 C ATOM 1089 CD GLU A 84 -9.327 19.792 -11.848 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -9.644 20.968 -11.798 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -10.068 18.901 -12.234 1.00 0.00 O ATOM 0 H GLU A 84 -8.875 21.543 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.219 18.831 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.762 21.183 -10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.559 19.958 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.181 19.717 -12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.835 18.334 -11.267 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.424 19.502 -6.722 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.572 18.939 -5.675 1.00 0.00 C ATOM 1100 C GLN A 85 -7.185 17.672 -5.117 1.00 0.00 C ATOM 1101 O GLN A 85 -6.473 16.722 -4.806 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.353 19.964 -4.549 1.00 0.00 C ATOM 1103 CG GLN A 85 -5.277 19.478 -3.543 1.00 0.00 C ATOM 1104 CD GLN A 85 -5.062 20.523 -2.450 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.295 20.255 -1.270 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.633 21.703 -2.786 1.00 0.00 N ATOM 0 H GLN A 85 -7.793 20.431 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.605 18.694 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.048 20.918 -4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.293 20.137 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.587 18.533 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.339 19.290 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.442 21.917 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.487 22.415 -2.071 1.00 0.00 H new ATOM 1115 N MET A 86 -8.510 17.672 -4.966 1.00 0.00 N ATOM 1116 CA MET A 86 -9.202 16.506 -4.416 1.00 0.00 C ATOM 1117 C MET A 86 -8.816 15.270 -5.210 1.00 0.00 C ATOM 1118 O MET A 86 -8.501 14.223 -4.645 1.00 0.00 O ATOM 1119 CB MET A 86 -10.731 16.717 -4.460 1.00 0.00 C ATOM 1120 CG MET A 86 -11.479 15.522 -3.808 1.00 0.00 C ATOM 1121 SD MET A 86 -13.253 15.891 -3.730 1.00 0.00 S ATOM 1122 CE MET A 86 -13.292 16.616 -2.072 1.00 0.00 C ATOM 0 H MET A 86 -9.118 18.453 -5.212 1.00 0.00 H new ATOM 0 HA MET A 86 -8.907 16.372 -3.375 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.989 17.639 -3.940 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.056 16.833 -5.494 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.310 14.614 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.090 15.338 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.312 16.914 -1.829 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.946 15.881 -1.345 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.642 17.490 -2.042 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.860 15.412 -6.534 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.539 14.312 -7.426 1.00 0.00 C ATOM 1134 C LYS A 87 -7.123 13.825 -7.172 1.00 0.00 C ATOM 1135 O LYS A 87 -6.854 12.623 -7.193 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.653 14.768 -8.902 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.553 13.544 -9.888 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.928 12.816 -10.005 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.795 11.557 -10.878 1.00 0.00 C ATOM 1140 NZ LYS A 87 -9.290 11.971 -12.205 1.00 0.00 N ATOM 0 H LYS A 87 -9.115 16.279 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.244 13.503 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.601 15.283 -9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.862 15.484 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.233 13.888 -10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.795 12.846 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.287 12.542 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.668 13.490 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.112 10.844 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.759 11.058 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.490 11.225 -12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.761 12.851 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.263 12.129 -12.152 1.00 0.00 H new ATOM 1154 N MET A 88 -6.225 14.778 -6.931 1.00 0.00 N ATOM 1155 CA MET A 88 -4.827 14.449 -6.673 1.00 0.00 C ATOM 1156 C MET A 88 -4.689 13.652 -5.378 1.00 0.00 C ATOM 1157 O MET A 88 -4.239 12.514 -5.392 1.00 0.00 O ATOM 1158 CB MET A 88 -3.971 15.742 -6.586 1.00 0.00 C ATOM 1159 CG MET A 88 -2.474 15.400 -6.401 1.00 0.00 C ATOM 1160 SD MET A 88 -1.490 16.915 -6.385 1.00 0.00 S ATOM 1161 CE MET A 88 0.096 16.114 -6.039 1.00 0.00 C ATOM 0 H MET A 88 -6.439 15.775 -6.909 1.00 0.00 H new ATOM 0 HA MET A 88 -4.467 13.839 -7.501 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.104 16.333 -7.492 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.314 16.355 -5.753 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.330 14.854 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.139 14.748 -7.208 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.908 16.741 -6.407 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.205 15.972 -4.964 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.131 15.146 -6.538 1.00 0.00 H new ATOM 1171 N ALA A 89 -5.101 14.260 -4.255 1.00 0.00 N ATOM 1172 CA ALA A 89 -5.011 13.607 -2.943 1.00 0.00 C ATOM 1173 C ALA A 89 -5.591 12.193 -2.979 1.00 0.00 C ATOM 1174 O ALA A 89 -5.071 11.287 -2.329 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.755 14.457 -1.892 1.00 0.00 C ATOM 0 H ALA A 89 -5.498 15.199 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.958 13.526 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.688 13.972 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.301 15.446 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.802 14.554 -2.178 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.662 12.022 -3.758 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.313 10.720 -3.891 1.00 0.00 C ATOM 1183 C HIS A 90 -6.357 9.711 -4.540 1.00 0.00 C ATOM 1184 O HIS A 90 -6.225 8.580 -4.073 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.600 10.861 -4.744 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.318 9.533 -4.817 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -8.881 8.514 -5.647 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.397 9.036 -4.137 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -9.692 7.460 -5.447 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.633 7.726 -4.539 1.00 0.00 N ATOM 0 H HIS A 90 -7.094 12.767 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.581 10.356 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.255 11.615 -4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.346 11.202 -5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.975 9.577 -3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.594 6.514 -5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.369 7.101 -4.210 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.716 10.128 -5.635 1.00 0.00 N ATOM 1199 CA ASP A 91 -4.791 9.254 -6.371 1.00 0.00 C ATOM 1200 C ASP A 91 -3.628 8.841 -5.470 1.00 0.00 C ATOM 1201 O ASP A 91 -3.211 7.684 -5.472 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.267 9.992 -7.634 1.00 0.00 C ATOM 1203 CG ASP A 91 -5.434 10.307 -8.579 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -6.286 9.446 -8.739 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -5.463 11.399 -9.123 1.00 0.00 O ATOM 0 H ASP A 91 -5.818 11.062 -6.033 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.320 8.353 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.764 10.914 -7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.530 9.374 -8.147 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.130 9.804 -4.702 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.008 9.575 -3.781 1.00 0.00 C ATOM 1212 C LEU A 92 -2.403 8.631 -2.673 1.00 0.00 C ATOM 1213 O LEU A 92 -1.608 7.795 -2.239 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.489 10.935 -3.218 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.407 11.556 -4.178 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.905 10.679 -4.207 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.989 11.731 -5.624 1.00 0.00 C ATOM 0 H LEU A 92 -3.485 10.760 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.194 9.103 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.322 11.629 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.060 10.785 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.141 12.539 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.632 11.135 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.325 10.620 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.664 9.676 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.227 12.162 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.292 10.759 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.854 12.394 -5.590 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.628 8.772 -2.202 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.103 7.932 -1.126 1.00 0.00 C ATOM 1231 C GLU A 93 -4.345 6.512 -1.630 1.00 0.00 C ATOM 1232 O GLU A 93 -3.899 5.536 -1.018 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.399 8.535 -0.556 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.839 7.781 0.729 1.00 0.00 C ATOM 1235 CD GLU A 93 -7.123 8.366 1.318 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.444 9.501 1.001 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -7.758 7.669 2.090 1.00 0.00 O ATOM 0 H GLU A 93 -4.304 9.454 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.351 7.884 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.246 9.590 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.190 8.481 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.992 6.727 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.042 7.832 1.471 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.067 6.406 -2.752 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.402 5.109 -3.347 1.00 0.00 C ATOM 1246 C GLY A 94 -4.160 4.373 -3.794 1.00 0.00 C ATOM 1247 O GLY A 94 -4.186 3.155 -4.023 1.00 0.00 O ATOM 0 H GLY A 94 -5.431 7.207 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.945 4.503 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.066 5.258 -4.199 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.068 5.131 -3.924 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.789 4.571 -4.357 1.00 0.00 C ATOM 1253 C GLN A 95 -1.336 3.460 -3.411 1.00 0.00 C ATOM 1254 O GLN A 95 -0.816 2.447 -3.842 1.00 0.00 O ATOM 1255 CB GLN A 95 -0.675 5.671 -4.412 1.00 0.00 C ATOM 1256 CG GLN A 95 0.414 5.306 -5.471 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.133 5.586 -6.882 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.302 6.744 -7.248 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.447 4.599 -7.673 1.00 0.00 N ATOM 0 H GLN A 95 -3.046 6.133 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.940 4.164 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.121 6.634 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.213 5.776 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.317 5.890 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.691 4.256 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.306 3.636 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.834 4.789 -8.597 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.526 3.677 -2.110 1.00 0.00 N ATOM 1269 CA LYS A 96 -1.098 2.698 -1.109 1.00 0.00 C ATOM 1270 C LYS A 96 -1.730 1.339 -1.355 1.00 0.00 C ATOM 1271 O LYS A 96 -1.034 0.336 -1.506 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.511 3.200 0.289 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.784 4.526 0.617 1.00 0.00 C ATOM 1274 CD LYS A 96 -1.202 5.042 2.017 1.00 0.00 C ATOM 1275 CE LYS A 96 -0.463 6.353 2.346 1.00 0.00 C ATOM 1276 NZ LYS A 96 -0.894 6.823 3.681 1.00 0.00 N ATOM 0 H LYS A 96 -1.968 4.512 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.016 2.588 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.590 3.350 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.268 2.448 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.295 4.373 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.022 5.275 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.279 5.207 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.975 4.289 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.615 6.192 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.682 7.109 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.401 7.709 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.921 6.990 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.664 6.101 4.394 1.00 0.00 H new ATOM 1290 N SER A 97 -3.058 1.318 -1.405 1.00 0.00 N ATOM 1291 CA SER A 97 -3.800 0.070 -1.608 1.00 0.00 C ATOM 1292 C SER A 97 -3.316 -0.667 -2.853 1.00 0.00 C ATOM 1293 O SER A 97 -3.156 -1.888 -2.832 1.00 0.00 O ATOM 1294 CB SER A 97 -5.302 0.365 -1.755 1.00 0.00 C ATOM 1295 OG SER A 97 -5.518 1.082 -2.959 1.00 0.00 O ATOM 0 H SER A 97 -3.645 2.147 -1.308 1.00 0.00 H new ATOM 0 HA SER A 97 -3.627 -0.561 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.869 -0.566 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.656 0.945 -0.903 1.00 0.00 H new ATOM 0 HG SER A 97 -4.884 1.827 -3.014 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.074 0.088 -3.927 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.612 -0.498 -5.191 1.00 0.00 C ATOM 1303 C ASP A 98 -1.280 -1.230 -5.006 1.00 0.00 C ATOM 1304 O ASP A 98 -1.106 -2.354 -5.476 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.453 0.628 -6.249 1.00 0.00 C ATOM 1306 CG ASP A 98 -3.796 1.325 -6.485 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -4.796 0.627 -6.546 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -3.808 2.541 -6.588 1.00 0.00 O ATOM 0 H ASP A 98 -3.189 1.101 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.351 -1.224 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.713 1.353 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.083 0.208 -7.185 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.349 -0.566 -4.331 1.00 0.00 N ATOM 1314 CA LEU A 99 0.990 -1.123 -4.091 1.00 0.00 C ATOM 1315 C LEU A 99 0.961 -2.191 -3.025 1.00 0.00 C ATOM 1316 O LEU A 99 1.747 -3.137 -3.065 1.00 0.00 O ATOM 1317 CB LEU A 99 1.984 0.011 -3.724 1.00 0.00 C ATOM 1318 CG LEU A 99 2.626 0.640 -5.014 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.582 -0.397 -5.749 1.00 0.00 C ATOM 1320 CD2 LEU A 99 1.505 1.158 -5.989 1.00 0.00 C ATOM 0 H LEU A 99 -0.492 0.364 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 99 1.332 -1.597 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.465 0.785 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.769 -0.384 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 99 3.237 1.489 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.010 0.069 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.384 -0.695 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.008 -1.277 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.966 1.590 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.864 0.326 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.907 1.917 -5.485 1.00 0.00 H new ATOM 1332 N ASN A 100 0.073 -2.039 -2.057 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.012 -2.998 -0.964 1.00 0.00 C ATOM 1334 C ASN A 100 -0.272 -4.401 -1.515 1.00 0.00 C ATOM 1335 O ASN A 100 0.421 -5.355 -1.150 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.148 -2.579 -0.016 1.00 0.00 C ATOM 1337 CG ASN A 100 -0.814 -1.259 0.685 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -1.683 -0.406 0.849 1.00 0.00 O ATOM 1339 ND2 ASN A 100 0.401 -1.041 1.103 1.00 0.00 N ATOM 0 H ASN A 100 -0.594 -1.269 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 100 0.930 -3.013 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.076 -2.473 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.313 -3.359 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.631 -0.162 1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.122 -1.749 0.967 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.265 -4.517 -2.407 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.592 -5.811 -3.005 1.00 0.00 C ATOM 1348 C ASN A 101 -0.482 -6.254 -3.941 1.00 0.00 C ATOM 1349 O ASN A 101 -0.030 -7.379 -3.872 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.922 -5.715 -3.776 1.00 0.00 C ATOM 1351 CG ASN A 101 -4.023 -5.247 -2.831 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.435 -5.995 -1.945 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.506 -4.046 -2.952 1.00 0.00 N ATOM 0 H ASN A 101 -1.846 -3.741 -2.724 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.695 -6.548 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.823 -5.019 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.180 -6.685 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.229 -3.720 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.161 -3.429 -3.688 1.00 0.00 H new ATOM 1360 N GLN A 102 -0.067 -5.348 -4.833 1.00 0.00 N ATOM 1361 CA GLN A 102 0.979 -5.670 -5.818 1.00 0.00 C ATOM 1362 C GLN A 102 2.191 -6.324 -5.141 1.00 0.00 C ATOM 1363 O GLN A 102 2.734 -7.311 -5.626 1.00 0.00 O ATOM 1364 CB GLN A 102 1.432 -4.385 -6.558 1.00 0.00 C ATOM 1365 CG GLN A 102 2.308 -4.719 -7.803 1.00 0.00 C ATOM 1366 CD GLN A 102 1.452 -5.401 -8.869 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.597 -6.595 -9.119 1.00 0.00 O ATOM 1368 NE2 GLN A 102 0.553 -4.698 -9.494 1.00 0.00 N ATOM 0 H GLN A 102 -0.432 -4.397 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 102 0.558 -6.374 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.556 -3.816 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.997 -3.751 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.748 -3.806 -8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.133 -5.370 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.440 -3.707 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.039 -5.138 -10.199 1.00 0.00 H new ATOM 1377 N LEU A 103 2.598 -5.740 -4.017 1.00 0.00 N ATOM 1378 CA LEU A 103 3.755 -6.226 -3.255 1.00 0.00 C ATOM 1379 C LEU A 103 3.422 -7.515 -2.540 1.00 0.00 C ATOM 1380 O LEU A 103 4.245 -8.020 -1.778 1.00 0.00 O ATOM 1381 CB LEU A 103 4.175 -5.142 -2.235 1.00 0.00 C ATOM 1382 CG LEU A 103 4.744 -3.866 -2.958 1.00 0.00 C ATOM 1383 CD1 LEU A 103 4.770 -2.664 -1.977 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.188 -4.128 -3.506 1.00 0.00 C ATOM 0 H LEU A 103 2.143 -4.924 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 103 4.578 -6.426 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.317 -4.864 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.929 -5.547 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 103 4.090 -3.635 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.166 -1.786 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.758 -2.456 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.405 -2.904 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.558 -3.230 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.850 -4.385 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.162 -4.951 -4.220 1.00 0.00 H new