USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 52 SER OG : rot 180:sc= -0.63 USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= -3.55! (180deg=-3.58!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -28:sc= 0.303 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.43! C(o=-5.4!,f=-6.7!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 87 GLN :FLIP amide:sc= -2.54! C(o=-3.8!,f=-2.5!) USER MOD Single : A 91 SER OG : rot -60:sc= 1.16 USER MOD Single : A 95 THR OG1 : rot -31:sc= 0.364 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.470 15.367 3.182 1.00 0.00 N ATOM 81 CA GLY A 9 -4.782 14.291 3.871 1.00 0.00 C ATOM 82 C GLY A 9 -3.276 14.463 3.857 1.00 0.00 C ATOM 83 O GLY A 9 -2.531 13.489 3.974 1.00 0.00 O ATOM 0 HA2 GLY A 9 -5.130 14.244 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.040 13.341 3.404 1.00 0.00 H new ATOM 87 N LEU A 10 -2.825 15.704 3.711 1.00 0.00 N ATOM 88 CA LEU A 10 -1.397 16.001 3.680 1.00 0.00 C ATOM 89 C LEU A 10 -0.847 16.180 5.092 1.00 0.00 C ATOM 90 O LEU A 10 0.021 17.019 5.328 1.00 0.00 O ATOM 91 CB LEU A 10 -1.137 17.263 2.855 1.00 0.00 C ATOM 92 CG LEU A 10 -2.053 18.453 3.142 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.332 18.351 2.325 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.371 18.536 4.627 1.00 0.00 C ATOM 0 H LEU A 10 -3.428 16.521 3.612 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.885 15.158 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.106 17.575 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.227 17.008 1.799 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.533 19.366 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.972 19.206 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.086 18.342 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.856 17.431 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.024 19.389 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.871 17.621 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.446 18.658 5.191 1.00 0.00 H new ATOM 106 N ARG A 11 -1.358 15.384 6.025 1.00 0.00 N ATOM 107 CA ARG A 11 -0.918 15.454 7.413 1.00 0.00 C ATOM 108 C ARG A 11 -0.079 14.233 7.780 1.00 0.00 C ATOM 109 O ARG A 11 0.054 13.300 6.988 1.00 0.00 O ATOM 110 CB ARG A 11 -2.123 15.557 8.349 1.00 0.00 C ATOM 111 CG ARG A 11 -2.822 16.906 8.296 1.00 0.00 C ATOM 112 CD ARG A 11 -4.045 16.937 9.199 1.00 0.00 C ATOM 113 NE ARG A 11 -3.712 17.360 10.557 1.00 0.00 N ATOM 114 CZ ARG A 11 -4.587 17.379 11.556 1.00 0.00 C ATOM 115 NH1 ARG A 11 -5.841 16.999 11.351 1.00 0.00 N ATOM 116 NH2 ARG A 11 -4.209 17.777 12.764 1.00 0.00 N ATOM 0 H ARG A 11 -2.077 14.683 5.845 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.301 16.346 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.839 14.776 8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.796 15.367 9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.126 17.689 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.121 17.122 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.788 17.616 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.499 15.946 9.229 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.755 17.657 10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.136 16.691 10.424 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.511 17.015 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.245 18.069 12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.882 17.791 13.530 1.00 0.00 H new ATOM 130 N GLU A 12 0.484 14.247 8.984 1.00 0.00 N ATOM 131 CA GLU A 12 1.310 13.142 9.453 1.00 0.00 C ATOM 132 C GLU A 12 0.445 12.008 9.997 1.00 0.00 C ATOM 133 O GLU A 12 -0.218 12.155 11.024 1.00 0.00 O ATOM 134 CB GLU A 12 2.278 13.623 10.537 1.00 0.00 C ATOM 135 CG GLU A 12 3.267 12.560 10.985 1.00 0.00 C ATOM 136 CD GLU A 12 3.940 12.907 12.299 1.00 0.00 C ATOM 137 OE1 GLU A 12 4.624 13.950 12.359 1.00 0.00 O ATOM 138 OE2 GLU A 12 3.781 12.134 13.267 1.00 0.00 O ATOM 0 H GLU A 12 0.383 15.011 9.652 1.00 0.00 H new ATOM 0 HA GLU A 12 1.882 12.766 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.829 14.486 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.705 13.961 11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.749 11.607 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.027 12.429 10.215 1.00 0.00 H new ATOM 145 N LEU A 13 0.456 10.877 9.299 1.00 0.00 N ATOM 146 CA LEU A 13 -0.328 9.718 9.710 1.00 0.00 C ATOM 147 C LEU A 13 0.579 8.536 10.038 1.00 0.00 C ATOM 148 O LEU A 13 1.776 8.560 9.749 1.00 0.00 O ATOM 149 CB LEU A 13 -1.315 9.328 8.608 1.00 0.00 C ATOM 150 CG LEU A 13 -2.361 10.381 8.241 1.00 0.00 C ATOM 151 CD1 LEU A 13 -1.845 11.282 7.129 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.666 9.716 7.828 1.00 0.00 C ATOM 0 H LEU A 13 0.999 10.738 8.447 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.884 9.986 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.748 9.080 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.834 8.421 8.917 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.552 10.996 9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.603 12.025 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.937 11.786 7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.624 10.681 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.399 10.481 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.490 9.076 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.045 9.114 8.654 1.00 0.00 H new ATOM 164 N CYS A 14 0.000 7.502 10.639 1.00 0.00 N ATOM 165 CA CYS A 14 0.756 6.309 11.005 1.00 0.00 C ATOM 166 C CYS A 14 -0.123 5.065 10.930 1.00 0.00 C ATOM 167 O CYS A 14 -1.348 5.153 11.014 1.00 0.00 O ATOM 168 CB CYS A 14 1.334 6.458 12.413 1.00 0.00 C ATOM 169 SG CYS A 14 0.095 6.788 13.688 1.00 0.00 S ATOM 0 H CYS A 14 -0.990 7.466 10.883 1.00 0.00 H new ATOM 0 HA CYS A 14 1.575 6.195 10.295 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.872 5.546 12.672 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.063 7.269 12.411 1.00 0.00 H new ATOM 0 HG CYS A 14 0.680 6.896 14.844 1.00 0.00 H new ATOM 175 N ILE A 15 0.511 3.908 10.771 1.00 0.00 N ATOM 176 CA ILE A 15 -0.213 2.646 10.685 1.00 0.00 C ATOM 177 C ILE A 15 0.222 1.686 11.787 1.00 0.00 C ATOM 178 O ILE A 15 1.349 1.191 11.782 1.00 0.00 O ATOM 179 CB ILE A 15 -0.004 1.969 9.318 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.680 2.784 8.213 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.546 0.548 9.342 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.243 2.390 6.819 1.00 0.00 C ATOM 0 H ILE A 15 1.525 3.819 10.699 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.270 2.880 10.807 1.00 0.00 H new ATOM 0 HB ILE A 15 1.065 1.925 9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.760 2.665 8.294 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.464 3.841 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.391 0.083 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.024 -0.028 10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.612 0.569 9.568 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.762 3.008 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.833 2.536 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.484 1.341 6.645 1.00 0.00 H new ATOM 194 N GLN A 16 -0.679 1.427 12.729 1.00 0.00 N ATOM 195 CA GLN A 16 -0.387 0.525 13.837 1.00 0.00 C ATOM 196 C GLN A 16 -0.529 -0.931 13.405 1.00 0.00 C ATOM 197 O GLN A 16 -1.612 -1.374 13.021 1.00 0.00 O ATOM 198 CB GLN A 16 -1.319 0.812 15.015 1.00 0.00 C ATOM 199 CG GLN A 16 -0.746 1.803 16.016 1.00 0.00 C ATOM 200 CD GLN A 16 -1.821 2.593 16.736 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.489 2.080 17.635 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.995 3.850 16.344 1.00 0.00 N ATOM 0 H GLN A 16 -1.616 1.829 12.747 1.00 0.00 H new ATOM 0 HA GLN A 16 0.644 0.694 14.148 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.264 1.198 14.634 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.541 -0.124 15.529 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.143 1.266 16.748 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.079 2.492 15.498 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.419 4.235 15.595 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.704 4.430 16.792 1.00 0.00 H new ATOM 211 N LYS A 17 0.572 -1.672 13.469 1.00 0.00 N ATOM 212 CA LYS A 17 0.572 -3.079 13.085 1.00 0.00 C ATOM 213 C LYS A 17 1.264 -3.931 14.144 1.00 0.00 C ATOM 214 O LYS A 17 1.945 -3.410 15.026 1.00 0.00 O ATOM 215 CB LYS A 17 1.267 -3.261 11.734 1.00 0.00 C ATOM 216 CG LYS A 17 2.767 -3.475 11.846 1.00 0.00 C ATOM 217 CD LYS A 17 3.488 -3.038 10.582 1.00 0.00 C ATOM 218 CE LYS A 17 3.318 -1.547 10.331 1.00 0.00 C ATOM 219 NZ LYS A 17 4.416 -0.998 9.488 1.00 0.00 N ATOM 0 H LYS A 17 1.477 -1.321 13.783 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.464 -3.407 13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.824 -4.113 11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.079 -2.383 11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.153 -2.915 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.972 -4.528 12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.549 -3.275 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.103 -3.598 9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.360 -1.368 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.293 -1.019 11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.195 -0.016 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.309 -1.022 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.512 -1.572 8.626 1.00 0.00 H new ATOM 233 N ALA A 18 1.086 -5.245 14.049 1.00 0.00 N ATOM 234 CA ALA A 18 1.696 -6.169 14.996 1.00 0.00 C ATOM 235 C ALA A 18 3.156 -5.810 15.251 1.00 0.00 C ATOM 236 O ALA A 18 3.749 -4.987 14.552 1.00 0.00 O ATOM 237 CB ALA A 18 1.584 -7.598 14.486 1.00 0.00 C ATOM 0 H ALA A 18 0.524 -5.693 13.325 1.00 0.00 H new ATOM 0 HA ALA A 18 1.159 -6.089 15.941 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.044 -8.278 15.204 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.533 -7.859 14.362 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.095 -7.683 13.527 1.00 0.00 H new ATOM 243 N PRO A 19 3.751 -6.439 16.275 1.00 0.00 N ATOM 244 CA PRO A 19 5.149 -6.200 16.646 1.00 0.00 C ATOM 245 C PRO A 19 6.125 -6.753 15.612 1.00 0.00 C ATOM 246 O PRO A 19 7.338 -6.601 15.747 1.00 0.00 O ATOM 247 CB PRO A 19 5.297 -6.948 17.973 1.00 0.00 C ATOM 248 CG PRO A 19 4.254 -8.012 17.927 1.00 0.00 C ATOM 249 CD PRO A 19 3.105 -7.431 17.151 1.00 0.00 C ATOM 0 HA PRO A 19 5.377 -5.136 16.713 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.294 -7.376 18.077 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.145 -6.282 18.822 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.635 -8.912 17.445 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.942 -8.297 18.932 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.582 -8.195 16.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.370 -6.968 17.809 1.00 0.00 H new ATOM 257 N GLY A 20 5.586 -7.394 14.580 1.00 0.00 N ATOM 258 CA GLY A 20 6.424 -7.959 13.538 1.00 0.00 C ATOM 259 C GLY A 20 5.635 -8.337 12.301 1.00 0.00 C ATOM 260 O GLY A 20 5.938 -9.334 11.645 1.00 0.00 O ATOM 0 H GLY A 20 4.584 -7.532 14.447 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.196 -7.239 13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.933 -8.842 13.924 1.00 0.00 H new ATOM 264 N GLU A 21 4.619 -7.542 11.982 1.00 0.00 N ATOM 265 CA GLU A 21 3.782 -7.802 10.816 1.00 0.00 C ATOM 266 C GLU A 21 4.197 -6.920 9.642 1.00 0.00 C ATOM 267 O GLU A 21 4.640 -5.787 9.828 1.00 0.00 O ATOM 268 CB GLU A 21 2.310 -7.561 11.154 1.00 0.00 C ATOM 269 CG GLU A 21 1.373 -7.774 9.976 1.00 0.00 C ATOM 270 CD GLU A 21 1.623 -9.088 9.263 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.958 -10.080 9.944 1.00 0.00 O ATOM 272 OE2 GLU A 21 1.484 -9.125 8.022 1.00 0.00 O ATOM 0 H GLU A 21 4.355 -6.713 12.514 1.00 0.00 H new ATOM 0 HA GLU A 21 3.915 -8.845 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.018 -8.228 11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.192 -6.542 11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.342 -7.746 10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.492 -6.953 9.269 1.00 0.00 H new ATOM 279 N ARG A 22 4.052 -7.450 8.431 1.00 0.00 N ATOM 280 CA ARG A 22 4.413 -6.713 7.226 1.00 0.00 C ATOM 281 C ARG A 22 3.248 -5.851 6.747 1.00 0.00 C ATOM 282 O ARG A 22 2.150 -6.353 6.502 1.00 0.00 O ATOM 283 CB ARG A 22 4.835 -7.680 6.119 1.00 0.00 C ATOM 284 CG ARG A 22 6.322 -7.996 6.120 1.00 0.00 C ATOM 285 CD ARG A 22 6.599 -9.374 5.540 1.00 0.00 C ATOM 286 NE ARG A 22 7.848 -9.939 6.044 1.00 0.00 N ATOM 287 CZ ARG A 22 9.050 -9.508 5.680 1.00 0.00 C ATOM 288 NH1 ARG A 22 9.166 -8.511 4.812 1.00 0.00 N ATOM 289 NH2 ARG A 22 10.140 -10.073 6.183 1.00 0.00 N ATOM 0 H ARG A 22 3.687 -8.387 8.259 1.00 0.00 H new ATOM 0 HA ARG A 22 5.251 -6.059 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.275 -8.609 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.563 -7.254 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.856 -7.242 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.705 -7.945 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.774 -10.043 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.644 -9.307 4.453 1.00 0.00 H new ATOM 0 HE ARG A 22 7.794 -10.707 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.331 -8.074 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.091 -8.182 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.055 -10.840 6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.063 -9.741 5.902 1.00 0.00 H new ATOM 303 N LEU A 23 3.496 -4.553 6.616 1.00 0.00 N ATOM 304 CA LEU A 23 2.468 -3.620 6.166 1.00 0.00 C ATOM 305 C LEU A 23 1.540 -4.280 5.151 1.00 0.00 C ATOM 306 O LEU A 23 0.320 -4.267 5.309 1.00 0.00 O ATOM 307 CB LEU A 23 3.113 -2.377 5.551 1.00 0.00 C ATOM 308 CG LEU A 23 2.353 -1.063 5.738 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.936 -1.186 5.200 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.334 -0.662 7.206 1.00 0.00 C ATOM 0 H LEU A 23 4.399 -4.122 6.815 1.00 0.00 H new ATOM 0 HA LEU A 23 1.877 -3.324 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.109 -2.261 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.242 -2.550 4.483 1.00 0.00 H new ATOM 0 HG LEU A 23 2.868 -0.284 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.410 -0.242 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.970 -1.427 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.411 -1.977 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.789 0.275 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.843 -1.441 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.356 -0.533 7.561 1.00 0.00 H new ATOM 322 N GLY A 24 2.128 -4.858 4.108 1.00 0.00 N ATOM 323 CA GLY A 24 1.340 -5.517 3.083 1.00 0.00 C ATOM 324 C GLY A 24 0.796 -4.545 2.055 1.00 0.00 C ATOM 325 O GLY A 24 -0.355 -4.658 1.632 1.00 0.00 O ATOM 0 H GLY A 24 3.136 -4.882 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.954 -6.265 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.511 -6.047 3.551 1.00 0.00 H new ATOM 329 N ILE A 25 1.625 -3.587 1.653 1.00 0.00 N ATOM 330 CA ILE A 25 1.220 -2.592 0.669 1.00 0.00 C ATOM 331 C ILE A 25 2.155 -2.597 -0.536 1.00 0.00 C ATOM 332 O ILE A 25 3.199 -3.250 -0.521 1.00 0.00 O ATOM 333 CB ILE A 25 1.193 -1.177 1.277 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.406 -0.965 2.185 1.00 0.00 C ATOM 335 CG2 ILE A 25 -0.099 -0.958 2.051 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.778 0.489 2.367 1.00 0.00 C ATOM 0 H ILE A 25 2.580 -3.479 1.994 1.00 0.00 H new ATOM 0 HA ILE A 25 0.214 -2.860 0.346 1.00 0.00 H new ATOM 0 HB ILE A 25 1.237 -0.449 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.200 -1.404 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.259 -1.500 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.103 0.046 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.950 -1.072 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.171 -1.691 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.646 0.563 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.016 0.928 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.940 1.026 2.812 1.00 0.00 H new ATOM 348 N SER A 26 1.775 -1.863 -1.577 1.00 0.00 N ATOM 349 CA SER A 26 2.579 -1.785 -2.791 1.00 0.00 C ATOM 350 C SER A 26 2.788 -0.333 -3.211 1.00 0.00 C ATOM 351 O SER A 26 2.048 0.558 -2.792 1.00 0.00 O ATOM 352 CB SER A 26 1.907 -2.563 -3.924 1.00 0.00 C ATOM 353 OG SER A 26 2.871 -3.105 -4.811 1.00 0.00 O ATOM 0 H SER A 26 0.916 -1.314 -1.604 1.00 0.00 H new ATOM 0 HA SER A 26 3.552 -2.229 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.299 -3.366 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.233 -1.904 -4.472 1.00 0.00 H new ATOM 0 HG SER A 26 2.417 -3.599 -5.525 1.00 0.00 H new ATOM 359 N ILE A 27 3.800 -0.103 -4.040 1.00 0.00 N ATOM 360 CA ILE A 27 4.107 1.239 -4.518 1.00 0.00 C ATOM 361 C ILE A 27 4.760 1.197 -5.896 1.00 0.00 C ATOM 362 O ILE A 27 5.516 0.277 -6.207 1.00 0.00 O ATOM 363 CB ILE A 27 5.038 1.985 -3.544 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.466 1.449 -3.658 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.528 1.849 -2.117 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.486 2.285 -2.918 1.00 0.00 C ATOM 0 H ILE A 27 4.422 -0.829 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 27 3.160 1.774 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 27 5.045 3.042 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.495 0.430 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.744 1.399 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.196 2.381 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.526 2.273 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.496 0.795 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.476 1.846 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.486 3.299 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.233 2.314 -1.858 1.00 0.00 H new ATOM 378 N ARG A 28 4.463 2.199 -6.716 1.00 0.00 N ATOM 379 CA ARG A 28 5.022 2.277 -8.060 1.00 0.00 C ATOM 380 C ARG A 28 5.648 3.646 -8.311 1.00 0.00 C ATOM 381 O ARG A 28 4.980 4.674 -8.204 1.00 0.00 O ATOM 382 CB ARG A 28 3.937 2.002 -9.103 1.00 0.00 C ATOM 383 CG ARG A 28 2.810 3.021 -9.093 1.00 0.00 C ATOM 384 CD ARG A 28 1.740 2.679 -10.117 1.00 0.00 C ATOM 385 NE ARG A 28 0.427 3.189 -9.730 1.00 0.00 N ATOM 386 CZ ARG A 28 0.119 4.481 -9.707 1.00 0.00 C ATOM 387 NH1 ARG A 28 1.023 5.388 -10.049 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.097 4.868 -9.343 1.00 0.00 N ATOM 0 H ARG A 28 3.839 2.968 -6.473 1.00 0.00 H new ATOM 0 HA ARG A 28 5.801 1.519 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.392 1.986 -10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.520 1.010 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.364 3.062 -8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.212 4.012 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.019 3.095 -11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.687 1.597 -10.238 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.292 2.517 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.958 5.095 -10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.783 6.379 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.796 4.173 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.333 5.860 -9.326 1.00 0.00 H new ATOM 402 N GLY A 29 6.935 3.651 -8.643 1.00 0.00 N ATOM 403 CA GLY A 29 7.629 4.899 -8.903 1.00 0.00 C ATOM 404 C GLY A 29 9.137 4.741 -8.872 1.00 0.00 C ATOM 405 O GLY A 29 9.663 3.680 -9.204 1.00 0.00 O ATOM 0 H GLY A 29 7.510 2.813 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.327 5.283 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.329 5.639 -8.161 1.00 0.00 H new ATOM 409 N GLY A 30 9.833 5.801 -8.474 1.00 0.00 N ATOM 410 CA GLY A 30 11.283 5.755 -8.411 1.00 0.00 C ATOM 411 C GLY A 30 11.931 6.927 -9.120 1.00 0.00 C ATOM 412 O GLY A 30 11.333 7.532 -10.009 1.00 0.00 O ATOM 0 H GLY A 30 9.420 6.690 -8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.598 5.746 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.634 4.825 -8.858 1.00 0.00 H new ATOM 611 N GLY A 45 7.867 10.473 -9.514 1.00 0.00 N ATOM 612 CA GLY A 45 7.127 10.372 -8.269 1.00 0.00 C ATOM 613 C GLY A 45 6.856 8.934 -7.871 1.00 0.00 C ATOM 614 O GLY A 45 7.048 8.016 -8.669 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.688 10.866 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.180 10.903 -8.368 1.00 0.00 H new ATOM 618 N ILE A 46 6.412 8.738 -6.634 1.00 0.00 N ATOM 619 CA ILE A 46 6.116 7.402 -6.132 1.00 0.00 C ATOM 620 C ILE A 46 4.763 7.367 -5.429 1.00 0.00 C ATOM 621 O ILE A 46 4.558 8.044 -4.421 1.00 0.00 O ATOM 622 CB ILE A 46 7.202 6.914 -5.156 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.586 7.034 -5.798 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.930 5.477 -4.737 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.720 7.016 -4.797 1.00 0.00 C ATOM 0 H ILE A 46 6.249 9.487 -5.961 1.00 0.00 H new ATOM 0 HA ILE A 46 6.091 6.738 -6.996 1.00 0.00 H new ATOM 0 HB ILE A 46 7.179 7.542 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.722 6.215 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.633 7.960 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.706 5.146 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.959 5.419 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.930 4.835 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.671 7.105 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.608 7.851 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.699 6.079 -4.241 1.00 0.00 H new ATOM 637 N PHE A 47 3.844 6.571 -5.965 1.00 0.00 N ATOM 638 CA PHE A 47 2.510 6.446 -5.388 1.00 0.00 C ATOM 639 C PHE A 47 2.117 4.979 -5.241 1.00 0.00 C ATOM 640 O PHE A 47 2.619 4.116 -5.961 1.00 0.00 O ATOM 641 CB PHE A 47 1.485 7.176 -6.259 1.00 0.00 C ATOM 642 CG PHE A 47 1.901 8.569 -6.635 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.035 8.784 -7.401 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.158 9.663 -6.223 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.421 10.065 -7.750 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.538 10.946 -6.569 1.00 0.00 C ATOM 647 CZ PHE A 47 2.672 11.147 -7.332 1.00 0.00 C ATOM 0 H PHE A 47 3.998 6.003 -6.798 1.00 0.00 H new ATOM 0 HA PHE A 47 2.525 6.901 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.315 6.598 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.534 7.220 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.625 7.941 -7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.272 9.512 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.307 10.219 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.949 11.791 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.972 12.149 -7.601 1.00 0.00 H new ATOM 657 N ILE A 48 1.217 4.706 -4.302 1.00 0.00 N ATOM 658 CA ILE A 48 0.756 3.345 -4.060 1.00 0.00 C ATOM 659 C ILE A 48 0.144 2.739 -5.319 1.00 0.00 C ATOM 660 O ILE A 48 -0.651 3.381 -6.006 1.00 0.00 O ATOM 661 CB ILE A 48 -0.282 3.296 -2.924 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.355 3.731 -1.602 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.868 1.897 -2.801 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.639 4.288 -0.607 1.00 0.00 C ATOM 0 H ILE A 48 0.793 5.409 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 48 1.630 2.763 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.091 3.988 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.865 2.877 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.115 4.485 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.600 1.879 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.354 1.622 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.071 1.186 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.118 4.576 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.131 5.162 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.386 3.529 -0.375 1.00 0.00 H new ATOM 676 N SER A 49 0.519 1.499 -5.615 1.00 0.00 N ATOM 677 CA SER A 49 0.009 0.806 -6.792 1.00 0.00 C ATOM 678 C SER A 49 -0.885 -0.363 -6.390 1.00 0.00 C ATOM 679 O SER A 49 -1.565 -0.957 -7.227 1.00 0.00 O ATOM 680 CB SER A 49 1.167 0.304 -7.657 1.00 0.00 C ATOM 681 OG SER A 49 0.692 -0.452 -8.757 1.00 0.00 O ATOM 0 H SER A 49 1.175 0.953 -5.056 1.00 0.00 H new ATOM 0 HA SER A 49 -0.586 1.513 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.749 1.152 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.837 -0.308 -7.053 1.00 0.00 H new ATOM 0 HG SER A 49 -0.166 -0.864 -8.524 1.00 0.00 H new ATOM 687 N LYS A 50 -0.878 -0.689 -5.102 1.00 0.00 N ATOM 688 CA LYS A 50 -1.688 -1.786 -4.586 1.00 0.00 C ATOM 689 C LYS A 50 -1.612 -1.848 -3.064 1.00 0.00 C ATOM 690 O LYS A 50 -0.589 -1.510 -2.468 1.00 0.00 O ATOM 691 CB LYS A 50 -1.223 -3.116 -5.185 1.00 0.00 C ATOM 692 CG LYS A 50 -1.855 -4.332 -4.529 1.00 0.00 C ATOM 693 CD LYS A 50 -1.001 -5.574 -4.719 1.00 0.00 C ATOM 694 CE LYS A 50 -0.850 -5.928 -6.191 1.00 0.00 C ATOM 695 NZ LYS A 50 0.331 -6.801 -6.433 1.00 0.00 N ATOM 0 H LYS A 50 -0.320 -0.209 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.724 -1.607 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.455 -3.126 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.139 -3.187 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.992 -4.143 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.845 -4.502 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.017 -5.410 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.452 -6.412 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.752 -6.433 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.752 -5.014 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.399 -7.020 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.195 -6.310 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.226 -7.685 -5.895 1.00 0.00 H new ATOM 709 N VAL A 51 -2.702 -2.284 -2.439 1.00 0.00 N ATOM 710 CA VAL A 51 -2.758 -2.393 -0.986 1.00 0.00 C ATOM 711 C VAL A 51 -3.452 -3.681 -0.558 1.00 0.00 C ATOM 712 O VAL A 51 -4.646 -3.864 -0.797 1.00 0.00 O ATOM 713 CB VAL A 51 -3.495 -1.193 -0.361 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.593 -1.353 1.148 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.797 0.108 -0.724 1.00 0.00 C ATOM 0 H VAL A 51 -3.558 -2.567 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.728 -2.403 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.507 -1.160 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.117 -0.496 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.142 -2.265 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.591 -1.413 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.331 0.945 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.773 0.088 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.786 0.225 -1.808 1.00 0.00 H new ATOM 725 N SER A 52 -2.696 -4.571 0.077 1.00 0.00 N ATOM 726 CA SER A 52 -3.238 -5.845 0.536 1.00 0.00 C ATOM 727 C SER A 52 -4.300 -5.628 1.609 1.00 0.00 C ATOM 728 O SER A 52 -4.175 -4.765 2.478 1.00 0.00 O ATOM 729 CB SER A 52 -2.118 -6.732 1.083 1.00 0.00 C ATOM 730 OG SER A 52 -2.504 -8.096 1.088 1.00 0.00 O ATOM 0 H SER A 52 -1.707 -4.434 0.285 1.00 0.00 H new ATOM 0 HA SER A 52 -3.703 -6.342 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.221 -6.607 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.864 -6.419 2.096 1.00 0.00 H new ATOM 0 HG SER A 52 -1.771 -8.642 1.440 1.00 0.00 H new ATOM 736 N PRO A 53 -5.373 -6.431 1.549 1.00 0.00 N ATOM 737 CA PRO A 53 -6.479 -6.348 2.508 1.00 0.00 C ATOM 738 C PRO A 53 -6.077 -6.826 3.899 1.00 0.00 C ATOM 739 O PRO A 53 -6.608 -6.356 4.906 1.00 0.00 O ATOM 740 CB PRO A 53 -7.538 -7.276 1.909 1.00 0.00 C ATOM 741 CG PRO A 53 -6.768 -8.245 1.079 1.00 0.00 C ATOM 742 CD PRO A 53 -5.589 -7.483 0.541 1.00 0.00 C ATOM 0 HA PRO A 53 -6.821 -5.323 2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.104 -7.785 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.255 -6.720 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.443 -9.098 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.381 -8.638 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.713 -8.122 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.798 -7.061 -0.442 1.00 0.00 H new ATOM 750 N THR A 54 -5.136 -7.763 3.949 1.00 0.00 N ATOM 751 CA THR A 54 -4.663 -8.305 5.217 1.00 0.00 C ATOM 752 C THR A 54 -3.484 -7.501 5.753 1.00 0.00 C ATOM 753 O THR A 54 -2.994 -7.757 6.852 1.00 0.00 O ATOM 754 CB THR A 54 -4.242 -9.780 5.075 1.00 0.00 C ATOM 755 OG1 THR A 54 -3.039 -9.874 4.304 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.342 -10.595 4.411 1.00 0.00 C ATOM 0 H THR A 54 -4.686 -8.163 3.126 1.00 0.00 H new ATOM 0 HA THR A 54 -5.494 -8.238 5.919 1.00 0.00 H new ATOM 0 HB THR A 54 -4.066 -10.183 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.777 -10.815 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.022 -11.633 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.247 -10.545 5.016 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.546 -10.191 3.419 1.00 0.00 H new ATOM 764 N GLY A 55 -3.033 -6.526 4.969 1.00 0.00 N ATOM 765 CA GLY A 55 -1.915 -5.699 5.384 1.00 0.00 C ATOM 766 C GLY A 55 -2.313 -4.658 6.411 1.00 0.00 C ATOM 767 O GLY A 55 -3.478 -4.270 6.493 1.00 0.00 O ATOM 0 H GLY A 55 -3.422 -6.294 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.132 -6.334 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.492 -5.201 4.512 1.00 0.00 H new ATOM 771 N ALA A 56 -1.343 -4.206 7.200 1.00 0.00 N ATOM 772 CA ALA A 56 -1.598 -3.204 8.227 1.00 0.00 C ATOM 773 C ALA A 56 -2.424 -2.048 7.673 1.00 0.00 C ATOM 774 O ALA A 56 -3.308 -1.524 8.351 1.00 0.00 O ATOM 775 CB ALA A 56 -0.286 -2.690 8.801 1.00 0.00 C ATOM 0 H ALA A 56 -0.373 -4.518 7.147 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.171 -3.676 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.492 -1.942 9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.267 -3.519 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.308 -2.240 8.005 1.00 0.00 H new ATOM 781 N ALA A 57 -2.130 -1.655 6.438 1.00 0.00 N ATOM 782 CA ALA A 57 -2.847 -0.562 5.793 1.00 0.00 C ATOM 783 C ALA A 57 -4.257 -0.987 5.398 1.00 0.00 C ATOM 784 O ALA A 57 -5.241 -0.391 5.833 1.00 0.00 O ATOM 785 CB ALA A 57 -2.079 -0.074 4.574 1.00 0.00 C ATOM 0 H ALA A 57 -1.400 -2.077 5.864 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.930 0.257 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.626 0.742 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.095 0.279 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.965 -0.893 3.864 1.00 0.00 H new ATOM 791 N GLY A 58 -4.347 -2.023 4.569 1.00 0.00 N ATOM 792 CA GLY A 58 -5.641 -2.510 4.128 1.00 0.00 C ATOM 793 C GLY A 58 -6.676 -2.491 5.236 1.00 0.00 C ATOM 794 O GLY A 58 -7.817 -2.084 5.021 1.00 0.00 O ATOM 0 H GLY A 58 -3.547 -2.533 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.992 -1.898 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.534 -3.528 3.752 1.00 0.00 H new ATOM 798 N ARG A 59 -6.277 -2.935 6.424 1.00 0.00 N ATOM 799 CA ARG A 59 -7.179 -2.970 7.569 1.00 0.00 C ATOM 800 C ARG A 59 -7.253 -1.604 8.244 1.00 0.00 C ATOM 801 O ARG A 59 -8.250 -1.270 8.885 1.00 0.00 O ATOM 802 CB ARG A 59 -6.718 -4.025 8.576 1.00 0.00 C ATOM 803 CG ARG A 59 -5.462 -3.633 9.337 1.00 0.00 C ATOM 804 CD ARG A 59 -5.064 -4.701 10.343 1.00 0.00 C ATOM 805 NE ARG A 59 -3.683 -4.542 10.793 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.017 -5.475 11.464 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.602 -6.628 11.761 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.763 -5.256 11.839 1.00 0.00 N ATOM 0 H ARG A 59 -5.335 -3.275 6.618 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.174 -3.232 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.522 -4.210 9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.536 -4.962 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.645 -3.471 8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.629 -2.688 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.733 -4.656 11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.188 -5.686 9.894 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.204 -3.667 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.566 -6.800 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.088 -7.343 12.276 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.310 -4.371 11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.252 -5.973 12.354 1.00 0.00 H new ATOM 822 N ASP A 60 -6.192 -0.819 8.097 1.00 0.00 N ATOM 823 CA ASP A 60 -6.136 0.511 8.693 1.00 0.00 C ATOM 824 C ASP A 60 -7.351 1.340 8.287 1.00 0.00 C ATOM 825 O ASP A 60 -8.216 1.637 9.110 1.00 0.00 O ATOM 826 CB ASP A 60 -4.852 1.228 8.274 1.00 0.00 C ATOM 827 CG ASP A 60 -4.750 2.623 8.858 1.00 0.00 C ATOM 828 OD1 ASP A 60 -4.951 2.770 10.082 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.469 3.568 8.092 1.00 0.00 O ATOM 0 H ASP A 60 -5.359 -1.080 7.570 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.142 0.396 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.991 0.640 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.812 1.289 7.186 1.00 0.00 H new ATOM 834 N GLY A 61 -7.409 1.711 7.011 1.00 0.00 N ATOM 835 CA GLY A 61 -8.521 2.502 6.518 1.00 0.00 C ATOM 836 C GLY A 61 -8.082 3.855 5.993 1.00 0.00 C ATOM 837 O GLY A 61 -8.846 4.544 5.317 1.00 0.00 O ATOM 0 H GLY A 61 -6.705 1.478 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.028 1.955 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.245 2.644 7.320 1.00 0.00 H new ATOM 841 N ARG A 62 -6.848 4.237 6.306 1.00 0.00 N ATOM 842 CA ARG A 62 -6.310 5.518 5.864 1.00 0.00 C ATOM 843 C ARG A 62 -5.382 5.334 4.667 1.00 0.00 C ATOM 844 O ARG A 62 -5.087 6.286 3.944 1.00 0.00 O ATOM 845 CB ARG A 62 -5.556 6.201 7.007 1.00 0.00 C ATOM 846 CG ARG A 62 -6.241 6.061 8.357 1.00 0.00 C ATOM 847 CD ARG A 62 -7.420 7.013 8.484 1.00 0.00 C ATOM 848 NE ARG A 62 -8.578 6.555 7.721 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.702 7.253 7.601 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.818 8.435 8.190 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.712 6.768 6.890 1.00 0.00 N ATOM 0 H ARG A 62 -6.202 3.678 6.864 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.145 6.149 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.553 5.780 7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.442 7.260 6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.585 5.035 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.523 6.260 9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.694 7.112 9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.125 8.003 8.136 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.521 5.650 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.043 8.811 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.682 8.969 8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.626 5.859 6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.575 7.304 6.798 1.00 0.00 H new ATOM 865 N LEU A 63 -4.925 4.103 4.464 1.00 0.00 N ATOM 866 CA LEU A 63 -4.029 3.793 3.355 1.00 0.00 C ATOM 867 C LEU A 63 -4.781 3.090 2.229 1.00 0.00 C ATOM 868 O LEU A 63 -5.430 2.067 2.446 1.00 0.00 O ATOM 869 CB LEU A 63 -2.873 2.915 3.837 1.00 0.00 C ATOM 870 CG LEU A 63 -1.727 2.710 2.845 1.00 0.00 C ATOM 871 CD1 LEU A 63 -2.223 1.998 1.597 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.090 4.043 2.483 1.00 0.00 C ATOM 0 H LEU A 63 -5.160 3.304 5.052 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.628 4.731 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.465 3.354 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.273 1.938 4.106 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.970 2.085 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.394 1.861 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.632 1.025 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.000 2.597 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.277 3.878 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.838 4.693 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.698 4.515 3.384 1.00 0.00 H new ATOM 884 N ARG A 64 -4.686 3.644 1.024 1.00 0.00 N ATOM 885 CA ARG A 64 -5.355 3.069 -0.136 1.00 0.00 C ATOM 886 C ARG A 64 -4.458 3.134 -1.369 1.00 0.00 C ATOM 887 O ARG A 64 -3.369 3.706 -1.328 1.00 0.00 O ATOM 888 CB ARG A 64 -6.669 3.805 -0.409 1.00 0.00 C ATOM 889 CG ARG A 64 -7.468 4.112 0.847 1.00 0.00 C ATOM 890 CD ARG A 64 -8.641 5.032 0.549 1.00 0.00 C ATOM 891 NE ARG A 64 -8.254 6.440 0.584 1.00 0.00 N ATOM 892 CZ ARG A 64 -8.018 7.110 1.707 1.00 0.00 C ATOM 893 NH1 ARG A 64 -8.128 6.503 2.881 1.00 0.00 N ATOM 894 NH2 ARG A 64 -7.671 8.389 1.657 1.00 0.00 N ATOM 0 H ARG A 64 -4.152 4.490 0.826 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.570 2.023 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.452 4.738 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.281 3.202 -1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.835 3.183 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.818 4.577 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.049 4.792 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.434 4.856 1.276 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.160 6.936 -0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.394 5.519 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.946 7.020 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.585 8.859 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.490 8.902 2.520 1.00 0.00 H new ATOM 908 N VAL A 65 -4.923 2.541 -2.464 1.00 0.00 N ATOM 909 CA VAL A 65 -4.164 2.531 -3.709 1.00 0.00 C ATOM 910 C VAL A 65 -4.366 3.827 -4.487 1.00 0.00 C ATOM 911 O VAL A 65 -5.276 3.934 -5.308 1.00 0.00 O ATOM 912 CB VAL A 65 -4.564 1.342 -4.601 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.558 1.156 -5.727 1.00 0.00 C ATOM 914 CG2 VAL A 65 -4.689 0.073 -3.772 1.00 0.00 C ATOM 0 H VAL A 65 -5.822 2.061 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.113 2.434 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.536 1.555 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.858 0.311 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.523 2.059 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.571 0.965 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.972 -0.758 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.733 -0.147 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.451 0.213 -3.006 1.00 0.00 H new ATOM 924 N GLY A 66 -3.511 4.810 -4.222 1.00 0.00 N ATOM 925 CA GLY A 66 -3.613 6.086 -4.905 1.00 0.00 C ATOM 926 C GLY A 66 -2.954 7.212 -4.133 1.00 0.00 C ATOM 927 O GLY A 66 -2.702 8.286 -4.681 1.00 0.00 O ATOM 0 H GLY A 66 -2.750 4.745 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.151 6.006 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.664 6.326 -5.065 1.00 0.00 H new ATOM 931 N LEU A 67 -2.676 6.968 -2.857 1.00 0.00 N ATOM 932 CA LEU A 67 -2.045 7.971 -2.007 1.00 0.00 C ATOM 933 C LEU A 67 -0.565 8.118 -2.345 1.00 0.00 C ATOM 934 O LEU A 67 0.155 7.126 -2.471 1.00 0.00 O ATOM 935 CB LEU A 67 -2.207 7.594 -0.533 1.00 0.00 C ATOM 936 CG LEU A 67 -3.640 7.348 -0.057 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.666 7.075 1.439 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.527 8.535 -0.401 1.00 0.00 C ATOM 0 H LEU A 67 -2.878 6.085 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.537 8.926 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.622 6.694 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.775 8.389 0.074 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.028 6.469 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.693 6.902 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.064 6.193 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.259 7.934 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.543 8.343 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.141 9.431 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.534 8.683 -1.481 1.00 0.00 H new ATOM 950 N ARG A 68 -0.116 9.360 -2.489 1.00 0.00 N ATOM 951 CA ARG A 68 1.278 9.637 -2.812 1.00 0.00 C ATOM 952 C ARG A 68 2.147 9.586 -1.558 1.00 0.00 C ATOM 953 O ARG A 68 1.939 10.350 -0.615 1.00 0.00 O ATOM 954 CB ARG A 68 1.407 11.007 -3.480 1.00 0.00 C ATOM 955 CG ARG A 68 2.826 11.345 -3.907 1.00 0.00 C ATOM 956 CD ARG A 68 2.980 12.828 -4.205 1.00 0.00 C ATOM 957 NE ARG A 68 4.348 13.171 -4.584 1.00 0.00 N ATOM 958 CZ ARG A 68 4.690 14.334 -5.128 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.769 15.261 -5.354 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.957 14.572 -5.445 1.00 0.00 N ATOM 0 H ARG A 68 -0.698 10.191 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 68 1.624 8.869 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.756 11.038 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.052 11.773 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.522 11.057 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.088 10.766 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.300 13.109 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.691 13.406 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 68 5.081 12.480 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.795 15.082 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.035 16.153 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.668 13.862 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.219 15.465 -5.863 1.00 0.00 H new ATOM 974 N LEU A 69 3.120 8.682 -1.556 1.00 0.00 N ATOM 975 CA LEU A 69 4.021 8.531 -0.418 1.00 0.00 C ATOM 976 C LEU A 69 4.993 9.703 -0.333 1.00 0.00 C ATOM 977 O LEU A 69 5.908 9.825 -1.148 1.00 0.00 O ATOM 978 CB LEU A 69 4.797 7.217 -0.528 1.00 0.00 C ATOM 979 CG LEU A 69 4.238 6.038 0.269 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.552 6.197 1.749 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.737 5.911 0.052 1.00 0.00 C ATOM 0 H LEU A 69 3.306 8.043 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 69 3.419 8.516 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.841 6.931 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.822 7.396 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 69 4.715 5.125 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.146 5.349 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.632 6.238 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.103 7.118 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.356 5.067 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.243 6.826 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.535 5.750 -1.007 1.00 0.00 H new ATOM 993 N LEU A 70 4.789 10.563 0.659 1.00 0.00 N ATOM 994 CA LEU A 70 5.649 11.725 0.852 1.00 0.00 C ATOM 995 C LEU A 70 6.869 11.366 1.694 1.00 0.00 C ATOM 996 O LEU A 70 8.005 11.627 1.299 1.00 0.00 O ATOM 997 CB LEU A 70 4.867 12.856 1.524 1.00 0.00 C ATOM 998 CG LEU A 70 4.004 13.716 0.600 1.00 0.00 C ATOM 999 CD1 LEU A 70 2.942 12.867 -0.081 1.00 0.00 C ATOM 1000 CD2 LEU A 70 3.360 14.854 1.378 1.00 0.00 C ATOM 0 H LEU A 70 4.036 10.477 1.342 1.00 0.00 H new ATOM 0 HA LEU A 70 5.992 12.059 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.223 12.421 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.576 13.507 2.036 1.00 0.00 H new ATOM 0 HG LEU A 70 4.646 14.145 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.337 13.496 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.423 12.087 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.303 12.409 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.750 15.456 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.732 14.444 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.137 15.479 1.819 1.00 0.00 H new ATOM 1012 N GLU A 71 6.625 10.765 2.854 1.00 0.00 N ATOM 1013 CA GLU A 71 7.706 10.368 3.750 1.00 0.00 C ATOM 1014 C GLU A 71 7.302 9.157 4.586 1.00 0.00 C ATOM 1015 O GLU A 71 6.156 9.042 5.021 1.00 0.00 O ATOM 1016 CB GLU A 71 8.089 11.531 4.668 1.00 0.00 C ATOM 1017 CG GLU A 71 8.366 12.827 3.926 1.00 0.00 C ATOM 1018 CD GLU A 71 8.972 13.892 4.819 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.577 13.528 5.849 1.00 0.00 O ATOM 1020 OE2 GLU A 71 8.841 15.089 4.488 1.00 0.00 O ATOM 0 H GLU A 71 5.690 10.542 3.196 1.00 0.00 H new ATOM 0 HA GLU A 71 8.568 10.096 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.284 11.697 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.974 11.254 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.042 12.628 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.436 13.202 3.498 1.00 0.00 H new ATOM 1027 N VAL A 72 8.253 8.254 4.806 1.00 0.00 N ATOM 1028 CA VAL A 72 7.999 7.051 5.589 1.00 0.00 C ATOM 1029 C VAL A 72 8.832 7.040 6.865 1.00 0.00 C ATOM 1030 O VAL A 72 10.052 6.886 6.821 1.00 0.00 O ATOM 1031 CB VAL A 72 8.304 5.778 4.778 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.235 4.547 5.670 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.344 5.651 3.605 1.00 0.00 C ATOM 0 H VAL A 72 9.207 8.333 4.453 1.00 0.00 H new ATOM 0 HA VAL A 72 6.941 7.061 5.850 1.00 0.00 H new ATOM 0 HB VAL A 72 9.317 5.854 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.453 3.657 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.966 4.638 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.236 4.463 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.574 4.746 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.321 5.597 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.448 6.519 2.954 1.00 0.00 H new ATOM 1043 N ASN A 73 8.165 7.204 8.003 1.00 0.00 N ATOM 1044 CA ASN A 73 8.845 7.213 9.293 1.00 0.00 C ATOM 1045 C ASN A 73 9.772 8.419 9.411 1.00 0.00 C ATOM 1046 O ASN A 73 10.884 8.311 9.929 1.00 0.00 O ATOM 1047 CB ASN A 73 9.644 5.922 9.481 1.00 0.00 C ATOM 1048 CG ASN A 73 8.866 4.867 10.244 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.180 5.170 11.220 1.00 0.00 O ATOM 1050 ND2 ASN A 73 8.969 3.619 9.800 1.00 0.00 N ATOM 0 H ASN A 73 7.155 7.332 8.058 1.00 0.00 H new ATOM 0 HA ASN A 73 8.088 7.281 10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.926 5.527 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.568 6.144 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.468 2.867 10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.549 3.413 8.987 1.00 0.00 H new ATOM 1057 N GLN A 74 9.306 9.566 8.928 1.00 0.00 N ATOM 1058 CA GLN A 74 10.094 10.793 8.980 1.00 0.00 C ATOM 1059 C GLN A 74 11.357 10.664 8.135 1.00 0.00 C ATOM 1060 O GLN A 74 12.381 11.277 8.437 1.00 0.00 O ATOM 1061 CB GLN A 74 10.465 11.125 10.426 1.00 0.00 C ATOM 1062 CG GLN A 74 9.276 11.534 11.280 1.00 0.00 C ATOM 1063 CD GLN A 74 9.499 11.271 12.756 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.331 11.917 13.395 1.00 0.00 O ATOM 1065 NE2 GLN A 74 8.756 10.319 13.307 1.00 0.00 N ATOM 0 H GLN A 74 8.388 9.672 8.497 1.00 0.00 H new ATOM 0 HA GLN A 74 9.488 11.602 8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.945 10.257 10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.198 11.932 10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.074 12.595 11.130 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.391 10.991 10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.079 9.809 12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.862 10.098 14.297 1.00 0.00 H new ATOM 1074 N GLN A 75 11.277 9.863 7.078 1.00 0.00 N ATOM 1075 CA GLN A 75 12.415 9.654 6.191 1.00 0.00 C ATOM 1076 C GLN A 75 12.043 9.964 4.745 1.00 0.00 C ATOM 1077 O GLN A 75 11.579 9.091 4.012 1.00 0.00 O ATOM 1078 CB GLN A 75 12.918 8.213 6.302 1.00 0.00 C ATOM 1079 CG GLN A 75 13.276 7.802 7.721 1.00 0.00 C ATOM 1080 CD GLN A 75 14.255 6.646 7.765 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.014 6.424 6.820 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.245 5.902 8.864 1.00 0.00 N ATOM 0 H GLN A 75 10.437 9.348 6.815 1.00 0.00 H new ATOM 0 HA GLN A 75 13.210 10.334 6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.152 7.539 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.795 8.093 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.705 8.656 8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.367 7.524 8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.600 6.122 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.883 5.111 8.950 1.00 0.00 H new ATOM 1091 N SER A 76 12.248 11.214 4.341 1.00 0.00 N ATOM 1092 CA SER A 76 11.930 11.641 2.983 1.00 0.00 C ATOM 1093 C SER A 76 12.318 10.567 1.971 1.00 0.00 C ATOM 1094 O SER A 76 13.437 10.053 1.992 1.00 0.00 O ATOM 1095 CB SER A 76 12.650 12.950 2.656 1.00 0.00 C ATOM 1096 OG SER A 76 12.430 13.330 1.308 1.00 0.00 O ATOM 0 H SER A 76 12.633 11.949 4.935 1.00 0.00 H new ATOM 0 HA SER A 76 10.854 11.802 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.298 13.738 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.719 12.835 2.835 1.00 0.00 H new ATOM 0 HG SER A 76 12.899 14.171 1.124 1.00 0.00 H new ATOM 1102 N LEU A 77 11.385 10.232 1.086 1.00 0.00 N ATOM 1103 CA LEU A 77 11.628 9.220 0.065 1.00 0.00 C ATOM 1104 C LEU A 77 12.240 9.843 -1.185 1.00 0.00 C ATOM 1105 O LEU A 77 12.231 9.242 -2.260 1.00 0.00 O ATOM 1106 CB LEU A 77 10.323 8.506 -0.294 1.00 0.00 C ATOM 1107 CG LEU A 77 9.480 8.016 0.884 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.131 7.508 0.400 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.218 6.929 1.652 1.00 0.00 C ATOM 0 H LEU A 77 10.454 10.647 1.055 1.00 0.00 H new ATOM 0 HA LEU A 77 12.333 8.494 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.715 9.183 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.562 7.650 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 77 9.308 8.856 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.545 7.163 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.598 8.314 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.281 6.682 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.603 6.592 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.421 6.088 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.159 7.327 2.032 1.00 0.00 H new ATOM 1121 N LEU A 78 12.774 11.050 -1.037 1.00 0.00 N ATOM 1122 CA LEU A 78 13.394 11.755 -2.154 1.00 0.00 C ATOM 1123 C LEU A 78 14.854 11.344 -2.314 1.00 0.00 C ATOM 1124 O LEU A 78 15.509 10.952 -1.349 1.00 0.00 O ATOM 1125 CB LEU A 78 13.298 13.267 -1.945 1.00 0.00 C ATOM 1126 CG LEU A 78 13.250 14.118 -3.215 1.00 0.00 C ATOM 1127 CD1 LEU A 78 11.810 14.381 -3.628 1.00 0.00 C ATOM 1128 CD2 LEU A 78 13.994 15.429 -3.006 1.00 0.00 C ATOM 0 H LEU A 78 12.790 11.561 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 78 12.858 11.486 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.404 13.476 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 78 14.153 13.586 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 78 13.741 13.567 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.796 14.988 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.307 13.433 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.293 14.911 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.950 16.022 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.531 15.984 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 78 15.035 15.221 -2.758 1.00 0.00 H new ATOM 1140 N GLY A 79 15.360 11.440 -3.540 1.00 0.00 N ATOM 1141 CA GLY A 79 16.740 11.077 -3.803 1.00 0.00 C ATOM 1142 C GLY A 79 16.922 9.584 -3.986 1.00 0.00 C ATOM 1143 O GLY A 79 17.792 9.144 -4.740 1.00 0.00 O ATOM 0 H GLY A 79 14.839 11.763 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.084 11.594 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.366 11.418 -2.978 1.00 0.00 H new ATOM 1147 N LEU A 80 16.102 8.801 -3.294 1.00 0.00 N ATOM 1148 CA LEU A 80 16.177 7.346 -3.382 1.00 0.00 C ATOM 1149 C LEU A 80 15.311 6.824 -4.524 1.00 0.00 C ATOM 1150 O LEU A 80 14.440 7.532 -5.031 1.00 0.00 O ATOM 1151 CB LEU A 80 15.736 6.712 -2.062 1.00 0.00 C ATOM 1152 CG LEU A 80 14.580 7.403 -1.339 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.770 6.394 -0.540 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.102 8.508 -0.432 1.00 0.00 C ATOM 0 H LEU A 80 15.377 9.149 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 80 17.213 7.072 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.451 5.678 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.594 6.685 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 80 13.926 7.852 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.952 6.905 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.365 5.638 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.412 5.915 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.265 8.989 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.778 8.081 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.637 9.246 -1.029 1.00 0.00 H new ATOM 1166 N THR A 81 15.556 5.580 -4.925 1.00 0.00 N ATOM 1167 CA THR A 81 14.798 4.963 -6.006 1.00 0.00 C ATOM 1168 C THR A 81 13.699 4.059 -5.460 1.00 0.00 C ATOM 1169 O THR A 81 13.475 3.997 -4.251 1.00 0.00 O ATOM 1170 CB THR A 81 15.712 4.139 -6.933 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.423 3.156 -6.172 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.700 5.039 -7.658 1.00 0.00 C ATOM 0 H THR A 81 16.273 4.981 -4.517 1.00 0.00 H new ATOM 0 HA THR A 81 14.347 5.773 -6.579 1.00 0.00 H new ATOM 0 HB THR A 81 15.087 3.641 -7.675 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.000 2.635 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.334 4.435 -8.306 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.155 5.767 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.319 5.561 -6.929 1.00 0.00 H new ATOM 1180 N HIS A 82 13.014 3.358 -6.359 1.00 0.00 N ATOM 1181 CA HIS A 82 11.938 2.455 -5.966 1.00 0.00 C ATOM 1182 C HIS A 82 12.413 1.476 -4.897 1.00 0.00 C ATOM 1183 O HIS A 82 11.818 1.375 -3.825 1.00 0.00 O ATOM 1184 CB HIS A 82 11.419 1.688 -7.183 1.00 0.00 C ATOM 1185 CG HIS A 82 9.982 1.280 -7.065 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.532 0.014 -7.376 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.894 1.977 -6.665 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.228 -0.048 -7.174 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.816 1.130 -6.742 1.00 0.00 N ATOM 0 H HIS A 82 13.185 3.398 -7.364 1.00 0.00 H new ATOM 0 HA HIS A 82 11.128 3.054 -5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.541 2.307 -8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.030 0.797 -7.329 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.115 -0.754 -7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.876 3.008 -6.345 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.605 -0.915 -7.335 1.00 0.00 H new ATOM 1198 N GLY A 83 13.490 0.755 -5.197 1.00 0.00 N ATOM 1199 CA GLY A 83 14.025 -0.207 -4.252 1.00 0.00 C ATOM 1200 C GLY A 83 14.355 0.419 -2.911 1.00 0.00 C ATOM 1201 O GLY A 83 13.949 -0.088 -1.866 1.00 0.00 O ATOM 0 H GLY A 83 14.001 0.820 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.302 -1.010 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.924 -0.660 -4.669 1.00 0.00 H new ATOM 1205 N GLU A 84 15.095 1.523 -2.941 1.00 0.00 N ATOM 1206 CA GLU A 84 15.480 2.217 -1.718 1.00 0.00 C ATOM 1207 C GLU A 84 14.249 2.648 -0.926 1.00 0.00 C ATOM 1208 O GLU A 84 14.186 2.469 0.290 1.00 0.00 O ATOM 1209 CB GLU A 84 16.341 3.438 -2.047 1.00 0.00 C ATOM 1210 CG GLU A 84 17.808 3.107 -2.264 1.00 0.00 C ATOM 1211 CD GLU A 84 18.531 2.784 -0.971 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.362 1.655 -0.464 1.00 0.00 O ATOM 1213 OE2 GLU A 84 19.265 3.659 -0.466 1.00 0.00 O ATOM 0 H GLU A 84 15.439 1.955 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 84 16.061 1.526 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.949 3.918 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.256 4.161 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.888 2.258 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.299 3.951 -2.749 1.00 0.00 H new ATOM 1220 N ALA A 85 13.273 3.218 -1.624 1.00 0.00 N ATOM 1221 CA ALA A 85 12.043 3.673 -0.988 1.00 0.00 C ATOM 1222 C ALA A 85 11.278 2.506 -0.374 1.00 0.00 C ATOM 1223 O ALA A 85 10.857 2.565 0.782 1.00 0.00 O ATOM 1224 CB ALA A 85 11.169 4.409 -1.993 1.00 0.00 C ATOM 0 H ALA A 85 13.310 3.376 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 85 12.312 4.360 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.254 4.743 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.709 5.273 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.917 3.739 -2.815 1.00 0.00 H new ATOM 1230 N VAL A 86 11.100 1.445 -1.154 1.00 0.00 N ATOM 1231 CA VAL A 86 10.386 0.263 -0.686 1.00 0.00 C ATOM 1232 C VAL A 86 10.984 -0.263 0.614 1.00 0.00 C ATOM 1233 O VAL A 86 10.305 -0.331 1.638 1.00 0.00 O ATOM 1234 CB VAL A 86 10.408 -0.860 -1.740 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.876 -2.157 -1.150 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.607 -0.455 -2.968 1.00 0.00 C ATOM 0 H VAL A 86 11.440 1.380 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 86 9.354 0.566 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 86 11.441 -1.025 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.899 -2.939 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.497 -2.454 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.850 -2.009 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.634 -1.261 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.574 -0.260 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.039 0.446 -3.403 1.00 0.00 H new ATOM 1246 N GLN A 87 12.260 -0.633 0.564 1.00 0.00 N ATOM 1247 CA GLN A 87 12.950 -1.152 1.739 1.00 0.00 C ATOM 1248 C GLN A 87 12.748 -0.234 2.940 1.00 0.00 C ATOM 1249 O GLN A 87 12.861 -0.663 4.089 1.00 0.00 O ATOM 1250 CB GLN A 87 14.443 -1.313 1.450 1.00 0.00 C ATOM 1251 CG GLN A 87 14.745 -2.308 0.340 1.00 0.00 C ATOM 1252 CD GLN A 87 14.109 -3.662 0.583 1.00 0.00 C ATOM 1253 OE1 GLN A 87 12.977 -3.909 -0.066 1.00 0.00 O flip ATOM 1254 NE2 GLN A 87 14.629 -4.478 1.345 1.00 0.00 N flip ATOM 0 H GLN A 87 12.836 -0.583 -0.276 1.00 0.00 H new ATOM 0 HA GLN A 87 12.526 -2.128 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.859 -0.342 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.948 -1.633 2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.388 -1.908 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.824 -2.429 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.500 -4.246 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.189 -5.385 1.498 1.00 0.00 H new ATOM 1263 N LEU A 88 12.449 1.031 2.667 1.00 0.00 N ATOM 1264 CA LEU A 88 12.232 2.011 3.725 1.00 0.00 C ATOM 1265 C LEU A 88 10.856 1.831 4.359 1.00 0.00 C ATOM 1266 O LEU A 88 10.666 2.107 5.545 1.00 0.00 O ATOM 1267 CB LEU A 88 12.368 3.430 3.169 1.00 0.00 C ATOM 1268 CG LEU A 88 12.889 4.486 4.145 1.00 0.00 C ATOM 1269 CD1 LEU A 88 13.112 5.809 3.430 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.922 4.662 5.307 1.00 0.00 C ATOM 0 H LEU A 88 12.351 1.402 1.722 1.00 0.00 H new ATOM 0 HA LEU A 88 12.990 1.854 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.036 3.399 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.392 3.751 2.804 1.00 0.00 H new ATOM 0 HG LEU A 88 13.845 4.145 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.483 6.548 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.843 5.673 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.171 6.155 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.309 5.417 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.951 4.980 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.813 3.715 5.836 1.00 0.00 H new ATOM 1282 N LEU A 89 9.900 1.366 3.564 1.00 0.00 N ATOM 1283 CA LEU A 89 8.541 1.146 4.048 1.00 0.00 C ATOM 1284 C LEU A 89 8.447 -0.158 4.834 1.00 0.00 C ATOM 1285 O LEU A 89 7.641 -0.281 5.756 1.00 0.00 O ATOM 1286 CB LEU A 89 7.559 1.120 2.875 1.00 0.00 C ATOM 1287 CG LEU A 89 7.298 -0.250 2.248 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.294 -1.034 3.078 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.806 -0.096 0.817 1.00 0.00 C ATOM 0 H LEU A 89 10.040 1.134 2.581 1.00 0.00 H new ATOM 0 HA LEU A 89 8.281 1.969 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.607 1.529 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.934 1.787 2.099 1.00 0.00 H new ATOM 0 HG LEU A 89 8.236 -0.805 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.121 -2.006 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.686 -1.175 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.355 -0.484 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.625 -1.081 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.880 0.478 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.560 0.425 0.227 1.00 0.00 H new ATOM 1301 N ARG A 90 9.277 -1.127 4.463 1.00 0.00 N ATOM 1302 CA ARG A 90 9.288 -2.421 5.134 1.00 0.00 C ATOM 1303 C ARG A 90 10.268 -2.419 6.304 1.00 0.00 C ATOM 1304 O ARG A 90 10.447 -3.433 6.978 1.00 0.00 O ATOM 1305 CB ARG A 90 9.659 -3.529 4.146 1.00 0.00 C ATOM 1306 CG ARG A 90 10.892 -3.215 3.315 1.00 0.00 C ATOM 1307 CD ARG A 90 11.283 -4.391 2.433 1.00 0.00 C ATOM 1308 NE ARG A 90 10.378 -4.549 1.298 1.00 0.00 N ATOM 1309 CZ ARG A 90 10.289 -5.662 0.579 1.00 0.00 C ATOM 1310 NH1 ARG A 90 11.046 -6.710 0.875 1.00 0.00 N ATOM 1311 NH2 ARG A 90 9.441 -5.729 -0.440 1.00 0.00 N ATOM 0 H ARG A 90 9.950 -1.041 3.702 1.00 0.00 H new ATOM 0 HA ARG A 90 8.287 -2.609 5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.828 -4.454 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.816 -3.706 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.700 -2.340 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.722 -2.962 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.300 -4.248 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.283 -5.305 3.027 1.00 0.00 H new ATOM 0 HE ARG A 90 9.782 -3.762 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.699 -6.663 1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.975 -7.563 0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.857 -4.925 -0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.373 -6.584 -0.992 1.00 0.00 H new ATOM 1325 N SER A 91 10.901 -1.273 6.537 1.00 0.00 N ATOM 1326 CA SER A 91 11.866 -1.140 7.622 1.00 0.00 C ATOM 1327 C SER A 91 11.193 -0.615 8.886 1.00 0.00 C ATOM 1328 O SER A 91 11.820 0.061 9.703 1.00 0.00 O ATOM 1329 CB SER A 91 13.003 -0.204 7.209 1.00 0.00 C ATOM 1330 OG SER A 91 13.876 0.048 8.296 1.00 0.00 O ATOM 0 H SER A 91 10.763 -0.424 5.989 1.00 0.00 H new ATOM 0 HA SER A 91 12.277 -2.127 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.562 -0.647 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.590 0.737 6.845 1.00 0.00 H new ATOM 0 HG SER A 91 13.375 0.463 9.029 1.00 0.00 H new ATOM 1336 N VAL A 92 9.911 -0.930 9.041 1.00 0.00 N ATOM 1337 CA VAL A 92 9.151 -0.491 10.206 1.00 0.00 C ATOM 1338 C VAL A 92 9.088 -1.586 11.265 1.00 0.00 C ATOM 1339 O VAL A 92 9.098 -2.774 10.946 1.00 0.00 O ATOM 1340 CB VAL A 92 7.717 -0.082 9.820 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.019 0.589 10.992 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.734 0.832 8.604 1.00 0.00 C ATOM 0 H VAL A 92 9.377 -1.488 8.375 1.00 0.00 H new ATOM 0 HA VAL A 92 9.670 0.376 10.614 1.00 0.00 H new ATOM 0 HB VAL A 92 7.158 -0.981 9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.007 0.871 10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.975 -0.102 11.833 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.574 1.481 11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.713 1.112 8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.309 1.729 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.192 0.311 7.763 1.00 0.00 H new ATOM 1352 N GLY A 93 9.022 -1.177 12.529 1.00 0.00 N ATOM 1353 CA GLY A 93 8.957 -2.136 13.616 1.00 0.00 C ATOM 1354 C GLY A 93 7.535 -2.537 13.952 1.00 0.00 C ATOM 1355 O GLY A 93 7.081 -3.616 13.570 1.00 0.00 O ATOM 0 H GLY A 93 9.012 -0.199 12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.528 -3.025 13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.430 -1.710 14.501 1.00 0.00 H new ATOM 1359 N ASP A 94 6.830 -1.668 14.668 1.00 0.00 N ATOM 1360 CA ASP A 94 5.450 -1.938 15.055 1.00 0.00 C ATOM 1361 C ASP A 94 4.507 -0.891 14.471 1.00 0.00 C ATOM 1362 O ASP A 94 3.314 -1.142 14.296 1.00 0.00 O ATOM 1363 CB ASP A 94 5.322 -1.965 16.579 1.00 0.00 C ATOM 1364 CG ASP A 94 6.147 -0.883 17.249 1.00 0.00 C ATOM 1365 OD1 ASP A 94 7.392 -0.951 17.168 1.00 0.00 O ATOM 1366 OD2 ASP A 94 5.548 0.031 17.852 1.00 0.00 O ATOM 0 H ASP A 94 7.191 -0.771 14.992 1.00 0.00 H new ATOM 0 HA ASP A 94 5.171 -2.914 14.657 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.275 -1.842 16.855 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.637 -2.940 16.950 1.00 0.00 H new ATOM 1371 N THR A 95 5.049 0.286 14.172 1.00 0.00 N ATOM 1372 CA THR A 95 4.257 1.372 13.610 1.00 0.00 C ATOM 1373 C THR A 95 5.140 2.373 12.875 1.00 0.00 C ATOM 1374 O THR A 95 6.260 2.659 13.300 1.00 0.00 O ATOM 1375 CB THR A 95 3.462 2.111 14.703 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.826 1.166 15.571 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.414 3.025 14.086 1.00 0.00 C ATOM 0 H THR A 95 6.034 0.511 14.310 1.00 0.00 H new ATOM 0 HA THR A 95 3.559 0.922 12.905 1.00 0.00 H new ATOM 0 HB THR A 95 4.159 2.720 15.278 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.606 0.355 15.067 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.866 3.536 14.877 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.903 3.762 13.450 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.721 2.433 13.488 1.00 0.00 H new ATOM 1385 N LEU A 96 4.629 2.905 11.770 1.00 0.00 N ATOM 1386 CA LEU A 96 5.372 3.877 10.974 1.00 0.00 C ATOM 1387 C LEU A 96 4.573 5.165 10.804 1.00 0.00 C ATOM 1388 O LEU A 96 3.386 5.220 11.125 1.00 0.00 O ATOM 1389 CB LEU A 96 5.712 3.289 9.603 1.00 0.00 C ATOM 1390 CG LEU A 96 4.696 3.549 8.491 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.278 3.173 7.137 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.410 2.778 8.753 1.00 0.00 C ATOM 0 H LEU A 96 3.704 2.680 11.405 1.00 0.00 H new ATOM 0 HA LEU A 96 6.297 4.112 11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.676 3.688 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.834 2.211 9.712 1.00 0.00 H new ATOM 0 HG LEU A 96 4.463 4.614 8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.540 3.365 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.171 3.769 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.541 2.115 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.698 2.975 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.627 1.711 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.983 3.096 9.704 1.00 0.00 H new ATOM 1404 N THR A 97 5.233 6.201 10.295 1.00 0.00 N ATOM 1405 CA THR A 97 4.585 7.489 10.081 1.00 0.00 C ATOM 1406 C THR A 97 4.638 7.894 8.612 1.00 0.00 C ATOM 1407 O THR A 97 5.649 8.410 8.136 1.00 0.00 O ATOM 1408 CB THR A 97 5.240 8.595 10.930 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.643 8.065 12.198 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.278 9.755 11.142 1.00 0.00 C ATOM 0 H THR A 97 6.216 6.173 10.023 1.00 0.00 H new ATOM 0 HA THR A 97 3.545 7.374 10.386 1.00 0.00 H new ATOM 0 HB THR A 97 6.116 8.963 10.395 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.060 8.774 12.731 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.762 10.524 11.744 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.996 10.175 10.176 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.386 9.399 11.658 1.00 0.00 H new ATOM 1418 N VAL A 98 3.542 7.657 7.898 1.00 0.00 N ATOM 1419 CA VAL A 98 3.463 7.998 6.483 1.00 0.00 C ATOM 1420 C VAL A 98 2.806 9.360 6.282 1.00 0.00 C ATOM 1421 O VAL A 98 1.746 9.638 6.843 1.00 0.00 O ATOM 1422 CB VAL A 98 2.673 6.938 5.693 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.200 5.544 5.996 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.188 7.036 6.008 1.00 0.00 C ATOM 0 H VAL A 98 2.697 7.230 8.277 1.00 0.00 H new ATOM 0 HA VAL A 98 4.486 8.032 6.108 1.00 0.00 H new ATOM 0 HB VAL A 98 2.808 7.128 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.630 4.808 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.251 5.483 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.097 5.340 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.645 6.280 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.031 6.873 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.823 8.026 5.735 1.00 0.00 H new ATOM 1434 N LEU A 99 3.443 10.204 5.478 1.00 0.00 N ATOM 1435 CA LEU A 99 2.920 11.538 5.202 1.00 0.00 C ATOM 1436 C LEU A 99 2.165 11.563 3.877 1.00 0.00 C ATOM 1437 O LEU A 99 2.207 12.552 3.145 1.00 0.00 O ATOM 1438 CB LEU A 99 4.060 12.557 5.172 1.00 0.00 C ATOM 1439 CG LEU A 99 3.644 14.028 5.126 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.624 14.329 6.213 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.861 14.931 5.269 1.00 0.00 C ATOM 0 H LEU A 99 4.321 9.989 5.006 1.00 0.00 H new ATOM 0 HA LEU A 99 2.226 11.802 6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.681 12.403 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.684 12.349 4.303 1.00 0.00 H new ATOM 0 HG LEU A 99 3.182 14.225 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.340 15.380 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.741 13.707 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.059 14.115 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.546 15.974 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.352 14.732 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.558 14.735 4.454 1.00 0.00 H new ATOM 1453 N VAL A 100 1.473 10.469 3.575 1.00 0.00 N ATOM 1454 CA VAL A 100 0.705 10.367 2.340 1.00 0.00 C ATOM 1455 C VAL A 100 -0.493 11.309 2.358 1.00 0.00 C ATOM 1456 O VAL A 100 -0.788 11.936 3.376 1.00 0.00 O ATOM 1457 CB VAL A 100 0.209 8.927 2.105 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.347 7.934 2.285 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.946 8.603 3.039 1.00 0.00 C ATOM 0 H VAL A 100 1.429 9.641 4.169 1.00 0.00 H new ATOM 0 HA VAL A 100 1.374 10.651 1.527 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.151 8.848 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.978 6.923 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.140 8.156 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.740 8.011 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.284 7.582 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.616 8.699 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.768 9.295 2.855 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.182 11.403 1.225 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.349 12.270 1.110 1.00 0.00 C ATOM 1471 C CYS A 101 -3.193 11.887 -0.101 1.00 0.00 C ATOM 1472 O CYS A 101 -2.674 11.386 -1.098 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.916 13.733 1.004 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.553 14.274 -0.683 1.00 0.00 S ATOM 0 H CYS A 101 -0.952 10.890 0.374 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.955 12.143 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.703 14.365 1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.031 13.885 1.621 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.198 15.524 -0.671 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.497 12.125 -0.006 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.413 11.805 -1.094 1.00 0.00 C ATOM 1482 C ASP A 102 -4.903 12.365 -2.418 1.00 0.00 C ATOM 1483 O ASP A 102 -5.032 13.558 -2.690 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.807 12.359 -0.795 1.00 0.00 C ATOM 1485 CG ASP A 102 -6.758 13.671 -0.038 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.587 13.636 1.198 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -6.891 14.734 -0.682 1.00 0.00 O ATOM 0 H ASP A 102 -4.943 12.538 0.813 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.472 10.720 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.346 12.503 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.368 11.628 -0.213 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.321 11.496 -3.238 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.798 11.923 -4.523 1.00 0.00 C ATOM 1494 C GLY A 103 -4.848 11.890 -5.616 1.00 0.00 C ATOM 1495 O GLY A 103 -5.196 12.925 -6.184 1.00 0.00 O ATOM 0 H GLY A 103 -4.202 10.503 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.403 12.935 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.964 11.280 -4.805 1.00 0.00 H new