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 73 ASN : amide:sc= -2.63 K(o=-2.6,f=-8.6!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -0.622 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.0798 K(o=-0.08,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -1.28 (180deg=-1.71) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc=-0.00257 (180deg=-0.181) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 76 SER OG : rot 180:sc= 0.014 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-9.8!) USER MOD Single : A 87 GLN : amide:sc= -3.65! C(o=-3.7!,f=-7.3!) USER MOD Single : A 91 SER OG : rot -53:sc= 1.14 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N GLY A 9 -5.447 15.065 4.680 1.00 0.00 N ATOM 81 CA GLY A 9 -4.823 14.005 3.910 1.00 0.00 C ATOM 82 C GLY A 9 -3.311 14.110 3.899 1.00 0.00 C ATOM 83 O GLY A 9 -2.610 13.106 4.029 1.00 0.00 O ATOM 0 HA2 GLY A 9 -5.114 13.040 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.194 14.037 2.886 1.00 0.00 H new ATOM 87 N LEU A 10 -2.805 15.329 3.743 1.00 0.00 N ATOM 88 CA LEU A 10 -1.365 15.562 3.714 1.00 0.00 C ATOM 89 C LEU A 10 -0.812 15.731 5.125 1.00 0.00 C ATOM 90 O LEU A 10 0.239 16.341 5.321 1.00 0.00 O ATOM 91 CB LEU A 10 -1.046 16.802 2.877 1.00 0.00 C ATOM 92 CG LEU A 10 -1.856 18.058 3.201 1.00 0.00 C ATOM 93 CD1 LEU A 10 -3.134 18.096 2.379 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.174 18.117 4.688 1.00 0.00 C ATOM 0 H LEU A 10 -3.371 16.171 3.635 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.890 14.692 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.012 17.035 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.200 16.556 1.826 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.257 18.931 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.697 18.997 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.884 18.101 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.739 17.218 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.751 19.017 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.754 17.239 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.245 18.138 5.258 1.00 0.00 H new ATOM 106 N ARG A 11 -1.527 15.186 6.104 1.00 0.00 N ATOM 107 CA ARG A 11 -1.107 15.276 7.497 1.00 0.00 C ATOM 108 C ARG A 11 -0.282 14.056 7.896 1.00 0.00 C ATOM 109 O ARG A 11 -0.376 13.000 7.271 1.00 0.00 O ATOM 110 CB ARG A 11 -2.326 15.401 8.413 1.00 0.00 C ATOM 111 CG ARG A 11 -3.067 16.720 8.263 1.00 0.00 C ATOM 112 CD ARG A 11 -2.261 17.879 8.827 1.00 0.00 C ATOM 113 NE ARG A 11 -2.482 18.052 10.261 1.00 0.00 N ATOM 114 CZ ARG A 11 -1.759 17.444 11.194 1.00 0.00 C ATOM 115 NH1 ARG A 11 -0.773 16.628 10.848 1.00 0.00 N ATOM 116 NH2 ARG A 11 -2.021 17.653 12.479 1.00 0.00 N ATOM 0 H ARG A 11 -2.399 14.678 5.958 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.486 16.165 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.013 14.582 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.005 15.290 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.279 16.902 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.027 16.660 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.201 17.708 8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.532 18.797 8.305 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.233 18.674 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.568 16.466 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.220 16.163 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.778 18.281 12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.465 17.186 13.195 1.00 0.00 H new ATOM 130 N GLU A 12 0.527 14.210 8.940 1.00 0.00 N ATOM 131 CA GLU A 12 1.369 13.121 9.421 1.00 0.00 C ATOM 132 C GLU A 12 0.520 11.980 9.974 1.00 0.00 C ATOM 133 O GLU A 12 -0.061 12.090 11.054 1.00 0.00 O ATOM 134 CB GLU A 12 2.328 13.627 10.500 1.00 0.00 C ATOM 135 CG GLU A 12 3.398 12.618 10.885 1.00 0.00 C ATOM 136 CD GLU A 12 4.294 13.116 12.002 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.766 13.443 13.086 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.524 13.180 11.793 1.00 0.00 O ATOM 0 H GLU A 12 0.617 15.078 9.468 1.00 0.00 H new ATOM 0 HA GLU A 12 1.948 12.744 8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.810 14.539 10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.755 13.893 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.921 11.688 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.007 12.388 10.011 1.00 0.00 H new ATOM 145 N LEU A 13 0.452 10.885 9.225 1.00 0.00 N ATOM 146 CA LEU A 13 -0.326 9.722 9.638 1.00 0.00 C ATOM 147 C LEU A 13 0.588 8.566 10.029 1.00 0.00 C ATOM 148 O LEU A 13 1.800 8.619 9.814 1.00 0.00 O ATOM 149 CB LEU A 13 -1.266 9.286 8.513 1.00 0.00 C ATOM 150 CG LEU A 13 -2.635 9.965 8.480 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.163 10.035 7.056 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.617 9.229 9.380 1.00 0.00 C ATOM 0 H LEU A 13 0.926 10.778 8.328 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.918 10.003 10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.769 9.469 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.419 8.210 8.591 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.523 10.983 8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.138 10.522 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.470 10.607 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.259 9.027 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.586 9.726 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.724 8.200 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.245 9.233 10.404 1.00 0.00 H new ATOM 164 N CYS A 14 0.001 7.521 10.602 1.00 0.00 N ATOM 165 CA CYS A 14 0.762 6.351 11.022 1.00 0.00 C ATOM 166 C CYS A 14 -0.096 5.092 10.958 1.00 0.00 C ATOM 167 O CYS A 14 -1.323 5.161 11.036 1.00 0.00 O ATOM 168 CB CYS A 14 1.297 6.546 12.441 1.00 0.00 C ATOM 169 SG CYS A 14 0.015 6.855 13.678 1.00 0.00 S ATOM 0 H CYS A 14 -1.000 7.461 10.786 1.00 0.00 H new ATOM 0 HA CYS A 14 1.602 6.231 10.338 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.860 5.659 12.731 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.997 7.382 12.442 1.00 0.00 H new ATOM 0 HG CYS A 14 0.566 7.004 14.846 1.00 0.00 H new ATOM 175 N ILE A 15 0.557 3.943 10.815 1.00 0.00 N ATOM 176 CA ILE A 15 -0.147 2.669 10.741 1.00 0.00 C ATOM 177 C ILE A 15 0.294 1.731 11.859 1.00 0.00 C ATOM 178 O ILE A 15 1.470 1.385 11.963 1.00 0.00 O ATOM 179 CB ILE A 15 0.083 1.977 9.384 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.364 2.889 8.239 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.660 0.651 9.333 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.294 2.230 6.879 1.00 0.00 C ATOM 0 H ILE A 15 1.572 3.869 10.748 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.209 2.888 10.852 1.00 0.00 H new ATOM 0 HB ILE A 15 1.149 1.779 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.388 3.215 8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.259 3.783 8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.488 0.174 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.298 0.000 10.129 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.728 0.827 9.465 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.625 2.934 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.733 1.928 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.939 1.352 6.867 1.00 0.00 H new ATOM 194 N GLN A 16 -0.658 1.321 12.690 1.00 0.00 N ATOM 195 CA GLN A 16 -0.367 0.421 13.800 1.00 0.00 C ATOM 196 C GLN A 16 -0.565 -1.034 13.388 1.00 0.00 C ATOM 197 O GLN A 16 -1.679 -1.456 13.077 1.00 0.00 O ATOM 198 CB GLN A 16 -1.260 0.750 14.998 1.00 0.00 C ATOM 199 CG GLN A 16 -0.677 1.810 15.919 1.00 0.00 C ATOM 200 CD GLN A 16 -1.095 3.214 15.530 1.00 0.00 C ATOM 201 OE1 GLN A 16 -1.784 3.415 14.529 1.00 0.00 O ATOM 202 NE2 GLN A 16 -0.679 4.196 16.321 1.00 0.00 N ATOM 0 H GLN A 16 -1.637 1.597 12.616 1.00 0.00 H new ATOM 0 HA GLN A 16 0.676 0.560 14.084 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.230 1.090 14.635 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.435 -0.161 15.571 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.994 1.611 16.943 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.411 1.741 15.903 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.110 3.984 17.140 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.929 5.162 16.109 1.00 0.00 H new ATOM 211 N LYS A 17 0.523 -1.796 13.386 1.00 0.00 N ATOM 212 CA LYS A 17 0.471 -3.204 13.012 1.00 0.00 C ATOM 213 C LYS A 17 1.127 -4.075 14.079 1.00 0.00 C ATOM 214 O LYS A 17 1.853 -3.577 14.940 1.00 0.00 O ATOM 215 CB LYS A 17 1.163 -3.422 11.665 1.00 0.00 C ATOM 216 CG LYS A 17 2.663 -3.631 11.778 1.00 0.00 C ATOM 217 CD LYS A 17 3.392 -3.120 10.547 1.00 0.00 C ATOM 218 CE LYS A 17 3.209 -1.620 10.373 1.00 0.00 C ATOM 219 NZ LYS A 17 4.382 -0.992 9.705 1.00 0.00 N ATOM 0 H LYS A 17 1.453 -1.462 13.640 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.577 -3.492 12.926 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.720 -4.289 11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.972 -2.561 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.037 -3.117 12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.874 -4.692 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.454 -3.351 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.021 -3.638 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.311 -1.429 9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.056 -1.157 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.080 -0.125 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.101 -0.755 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.785 -1.657 9.014 1.00 0.00 H new ATOM 233 N ALA A 18 0.869 -5.377 14.015 1.00 0.00 N ATOM 234 CA ALA A 18 1.437 -6.317 14.974 1.00 0.00 C ATOM 235 C ALA A 18 2.910 -6.015 15.231 1.00 0.00 C ATOM 236 O ALA A 18 3.538 -5.224 14.527 1.00 0.00 O ATOM 237 CB ALA A 18 1.268 -7.745 14.477 1.00 0.00 C ATOM 0 H ALA A 18 0.270 -5.805 13.309 1.00 0.00 H new ATOM 0 HA ALA A 18 0.900 -6.206 15.916 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.697 -8.436 15.203 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.208 -7.963 14.351 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.779 -7.860 13.521 1.00 0.00 H new ATOM 243 N PRO A 19 3.475 -6.658 16.263 1.00 0.00 N ATOM 244 CA PRO A 19 4.880 -6.474 16.637 1.00 0.00 C ATOM 245 C PRO A 19 5.836 -7.076 15.612 1.00 0.00 C ATOM 246 O PRO A 19 7.052 -7.066 15.802 1.00 0.00 O ATOM 247 CB PRO A 19 4.992 -7.215 17.972 1.00 0.00 C ATOM 248 CG PRO A 19 3.907 -8.234 17.931 1.00 0.00 C ATOM 249 CD PRO A 19 2.786 -7.615 17.145 1.00 0.00 C ATOM 0 HA PRO A 19 5.152 -5.420 16.695 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.970 -7.682 18.085 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.865 -6.535 18.814 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.253 -9.153 17.459 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.580 -8.496 18.937 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.235 -8.362 16.574 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.067 -7.116 17.795 1.00 0.00 H new ATOM 257 N GLY A 20 5.278 -7.599 14.525 1.00 0.00 N ATOM 258 CA GLY A 20 6.096 -8.198 13.486 1.00 0.00 C ATOM 259 C GLY A 20 5.292 -8.563 12.254 1.00 0.00 C ATOM 260 O GLY A 20 5.539 -9.594 11.628 1.00 0.00 O ATOM 0 H GLY A 20 4.274 -7.619 14.345 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.889 -7.504 13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.579 -9.092 13.879 1.00 0.00 H new ATOM 264 N GLU A 21 4.328 -7.717 11.906 1.00 0.00 N ATOM 265 CA GLU A 21 3.484 -7.959 10.742 1.00 0.00 C ATOM 266 C GLU A 21 3.951 -7.129 9.549 1.00 0.00 C ATOM 267 O GLU A 21 4.304 -5.959 9.694 1.00 0.00 O ATOM 268 CB GLU A 21 2.025 -7.632 11.064 1.00 0.00 C ATOM 269 CG GLU A 21 1.116 -7.633 9.846 1.00 0.00 C ATOM 270 CD GLU A 21 1.134 -8.958 9.108 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.355 -9.999 9.760 1.00 0.00 O ATOM 272 OE2 GLU A 21 0.926 -8.952 7.876 1.00 0.00 O ATOM 0 H GLU A 21 4.112 -6.859 12.413 1.00 0.00 H new ATOM 0 HA GLU A 21 3.563 -9.015 10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.650 -8.357 11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.978 -6.653 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.096 -7.409 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.424 -6.838 9.166 1.00 0.00 H new ATOM 279 N ARG A 22 3.951 -7.745 8.371 1.00 0.00 N ATOM 280 CA ARG A 22 4.376 -7.064 7.154 1.00 0.00 C ATOM 281 C ARG A 22 3.251 -6.199 6.593 1.00 0.00 C ATOM 282 O ARG A 22 2.198 -6.706 6.205 1.00 0.00 O ATOM 283 CB ARG A 22 4.821 -8.084 6.103 1.00 0.00 C ATOM 284 CG ARG A 22 6.297 -8.437 6.185 1.00 0.00 C ATOM 285 CD ARG A 22 7.175 -7.213 5.977 1.00 0.00 C ATOM 286 NE ARG A 22 8.563 -7.575 5.699 1.00 0.00 N ATOM 287 CZ ARG A 22 9.422 -7.962 6.635 1.00 0.00 C ATOM 288 NH1 ARG A 22 9.039 -8.036 7.902 1.00 0.00 N ATOM 289 NH2 ARG A 22 10.669 -8.275 6.304 1.00 0.00 N ATOM 0 H ARG A 22 3.662 -8.713 8.234 1.00 0.00 H new ATOM 0 HA ARG A 22 5.217 -6.418 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.231 -8.993 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.605 -7.688 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.513 -8.880 7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.535 -9.189 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.782 -6.622 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.136 -6.584 6.866 1.00 0.00 H new ATOM 0 HE ARG A 22 8.890 -7.528 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.082 -7.795 8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.701 -8.334 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.968 -8.218 5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.328 -8.572 7.023 1.00 0.00 H new ATOM 303 N LEU A 23 3.481 -4.891 6.555 1.00 0.00 N ATOM 304 CA LEU A 23 2.488 -3.954 6.042 1.00 0.00 C ATOM 305 C LEU A 23 1.665 -4.590 4.927 1.00 0.00 C ATOM 306 O LEU A 23 0.438 -4.495 4.915 1.00 0.00 O ATOM 307 CB LEU A 23 3.171 -2.686 5.528 1.00 0.00 C ATOM 308 CG LEU A 23 2.377 -1.388 5.679 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.916 -1.611 5.322 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.505 -0.846 7.096 1.00 0.00 C ATOM 0 H LEU A 23 4.347 -4.455 6.873 1.00 0.00 H new ATOM 0 HA LEU A 23 1.817 -3.691 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.120 -2.571 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.404 -2.825 4.472 1.00 0.00 H new ATOM 0 HG LEU A 23 2.789 -0.650 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.367 -0.676 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.842 -1.952 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.490 -2.364 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.934 0.078 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.119 -1.581 7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.554 -0.647 7.316 1.00 0.00 H new ATOM 322 N GLY A 24 2.349 -5.240 3.990 1.00 0.00 N ATOM 323 CA GLY A 24 1.664 -5.884 2.884 1.00 0.00 C ATOM 324 C GLY A 24 1.099 -4.886 1.893 1.00 0.00 C ATOM 325 O GLY A 24 -0.029 -5.039 1.423 1.00 0.00 O ATOM 0 H GLY A 24 3.365 -5.332 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.357 -6.550 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.856 -6.503 3.272 1.00 0.00 H new ATOM 329 N ILE A 25 1.883 -3.862 1.574 1.00 0.00 N ATOM 330 CA ILE A 25 1.453 -2.835 0.633 1.00 0.00 C ATOM 331 C ILE A 25 2.381 -2.773 -0.575 1.00 0.00 C ATOM 332 O ILE A 25 3.473 -3.341 -0.561 1.00 0.00 O ATOM 333 CB ILE A 25 1.401 -1.447 1.299 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.551 -1.292 2.295 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.062 -1.241 1.991 1.00 0.00 C ATOM 336 CD1 ILE A 25 3.013 0.138 2.467 1.00 0.00 C ATOM 0 H ILE A 25 2.819 -3.721 1.953 1.00 0.00 H new ATOM 0 HA ILE A 25 0.450 -3.108 0.304 1.00 0.00 H new ATOM 0 HB ILE A 25 1.509 -0.686 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.238 -1.683 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.393 -1.900 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.041 -0.256 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.741 -1.313 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.074 -2.006 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.830 0.172 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.358 0.527 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.185 0.747 2.829 1.00 0.00 H new ATOM 348 N SER A 26 1.940 -2.078 -1.618 1.00 0.00 N ATOM 349 CA SER A 26 2.731 -1.943 -2.836 1.00 0.00 C ATOM 350 C SER A 26 2.819 -0.482 -3.267 1.00 0.00 C ATOM 351 O SER A 26 1.910 0.308 -3.011 1.00 0.00 O ATOM 352 CB SER A 26 2.122 -2.783 -3.961 1.00 0.00 C ATOM 353 OG SER A 26 3.127 -3.278 -4.828 1.00 0.00 O ATOM 0 H SER A 26 1.040 -1.600 -1.645 1.00 0.00 H new ATOM 0 HA SER A 26 3.738 -2.304 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.562 -3.616 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.413 -2.179 -4.528 1.00 0.00 H new ATOM 0 HG SER A 26 2.713 -3.813 -5.537 1.00 0.00 H new ATOM 359 N ILE A 27 3.920 -0.131 -3.923 1.00 0.00 N ATOM 360 CA ILE A 27 4.127 1.234 -4.391 1.00 0.00 C ATOM 361 C ILE A 27 4.754 1.249 -5.781 1.00 0.00 C ATOM 362 O ILE A 27 5.481 0.329 -6.156 1.00 0.00 O ATOM 363 CB ILE A 27 5.026 2.030 -3.427 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.451 1.473 -3.446 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.455 1.990 -2.017 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.421 2.266 -2.599 1.00 0.00 C ATOM 0 H ILE A 27 4.682 -0.773 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 27 3.145 1.705 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 27 5.058 3.068 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.434 0.441 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.811 1.454 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.101 2.557 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.457 2.428 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.397 0.956 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.411 1.814 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.468 3.292 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.084 2.264 -1.562 1.00 0.00 H new ATOM 378 N ARG A 28 4.467 2.301 -6.542 1.00 0.00 N ATOM 379 CA ARG A 28 5.003 2.437 -7.891 1.00 0.00 C ATOM 380 C ARG A 28 5.654 3.804 -8.082 1.00 0.00 C ATOM 381 O ARG A 28 5.024 4.838 -7.865 1.00 0.00 O ATOM 382 CB ARG A 28 3.894 2.239 -8.926 1.00 0.00 C ATOM 383 CG ARG A 28 2.713 3.177 -8.740 1.00 0.00 C ATOM 384 CD ARG A 28 1.780 3.142 -9.940 1.00 0.00 C ATOM 385 NE ARG A 28 1.147 1.836 -10.104 1.00 0.00 N ATOM 386 CZ ARG A 28 0.047 1.638 -10.822 1.00 0.00 C ATOM 387 NH1 ARG A 28 -0.538 2.654 -11.439 1.00 0.00 N ATOM 388 NH2 ARG A 28 -0.469 0.419 -10.924 1.00 0.00 N ATOM 0 H ARG A 28 3.867 3.071 -6.247 1.00 0.00 H new ATOM 0 HA ARG A 28 5.763 1.669 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.309 2.385 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.541 1.209 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.163 2.897 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.075 4.194 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.011 3.905 -9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.340 3.389 -10.842 1.00 0.00 H new ATOM 0 HE ARG A 28 1.573 1.032 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.144 3.592 -11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.382 2.498 -11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.021 -0.366 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.314 0.267 -11.475 1.00 0.00 H new ATOM 402 N GLY A 29 6.919 3.799 -8.491 1.00 0.00 N ATOM 403 CA GLY A 29 7.634 5.044 -8.704 1.00 0.00 C ATOM 404 C GLY A 29 9.136 4.879 -8.578 1.00 0.00 C ATOM 405 O GLY A 29 9.675 3.808 -8.853 1.00 0.00 O ATOM 0 H GLY A 29 7.461 2.956 -8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.396 5.431 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.291 5.785 -7.981 1.00 0.00 H new ATOM 409 N GLY A 30 9.814 5.945 -8.162 1.00 0.00 N ATOM 410 CA GLY A 30 11.256 5.893 -8.010 1.00 0.00 C ATOM 411 C GLY A 30 11.936 7.159 -8.492 1.00 0.00 C ATOM 412 O GLY A 30 11.505 7.770 -9.469 1.00 0.00 O ATOM 0 H GLY A 30 9.390 6.843 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.502 5.729 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.646 5.040 -8.566 1.00 0.00 H new ATOM 611 N GLY A 45 7.970 10.613 -9.267 1.00 0.00 N ATOM 612 CA GLY A 45 7.069 10.498 -8.136 1.00 0.00 C ATOM 613 C GLY A 45 6.834 9.058 -7.724 1.00 0.00 C ATOM 614 O GLY A 45 7.128 8.134 -8.483 1.00 0.00 O ATOM 0 HA2 GLY A 45 7.479 11.052 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.115 10.961 -8.387 1.00 0.00 H new ATOM 618 N ILE A 46 6.305 8.867 -6.521 1.00 0.00 N ATOM 619 CA ILE A 46 6.032 7.529 -6.010 1.00 0.00 C ATOM 620 C ILE A 46 4.660 7.463 -5.349 1.00 0.00 C ATOM 621 O ILE A 46 4.415 8.119 -4.336 1.00 0.00 O ATOM 622 CB ILE A 46 7.102 7.085 -4.995 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.497 7.184 -5.615 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.825 5.666 -4.522 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.610 7.235 -4.593 1.00 0.00 C ATOM 0 H ILE A 46 6.057 9.622 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 46 6.053 6.854 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 46 7.062 7.749 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.656 6.328 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.546 8.077 -6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.589 5.366 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.845 5.626 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.842 4.988 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.570 7.305 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.476 8.106 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.587 6.331 -3.985 1.00 0.00 H new ATOM 637 N PHE A 47 3.769 6.664 -5.926 1.00 0.00 N ATOM 638 CA PHE A 47 2.421 6.510 -5.392 1.00 0.00 C ATOM 639 C PHE A 47 2.063 5.035 -5.235 1.00 0.00 C ATOM 640 O PHE A 47 2.544 4.186 -5.986 1.00 0.00 O ATOM 641 CB PHE A 47 1.405 7.199 -6.306 1.00 0.00 C ATOM 642 CG PHE A 47 1.753 8.626 -6.620 1.00 0.00 C ATOM 643 CD1 PHE A 47 2.921 8.936 -7.296 1.00 0.00 C ATOM 644 CD2 PHE A 47 0.910 9.658 -6.237 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.244 10.248 -7.587 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.227 10.972 -6.525 1.00 0.00 C ATOM 647 CZ PHE A 47 2.396 11.267 -7.200 1.00 0.00 C ATOM 0 H PHE A 47 3.956 6.113 -6.764 1.00 0.00 H new ATOM 0 HA PHE A 47 2.391 6.979 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.328 6.639 -7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.423 7.168 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.588 8.143 -7.600 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.004 9.433 -5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.158 10.476 -8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.562 11.767 -6.223 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.646 12.293 -7.425 1.00 0.00 H new ATOM 657 N ILE A 48 1.216 4.739 -4.256 1.00 0.00 N ATOM 658 CA ILE A 48 0.793 3.367 -4.001 1.00 0.00 C ATOM 659 C ILE A 48 0.190 2.736 -5.252 1.00 0.00 C ATOM 660 O ILE A 48 -0.532 3.391 -6.003 1.00 0.00 O ATOM 661 CB ILE A 48 -0.238 3.299 -2.858 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.309 3.990 -1.607 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.598 1.852 -2.555 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.770 4.531 -0.696 1.00 0.00 C ATOM 0 H ILE A 48 0.809 5.430 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 48 1.684 2.811 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.142 3.820 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.923 3.282 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.962 4.809 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.327 1.820 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.024 1.389 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.299 1.309 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.310 5.007 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.370 5.263 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.409 3.713 -0.363 1.00 0.00 H new ATOM 676 N SER A 49 0.492 1.460 -5.468 1.00 0.00 N ATOM 677 CA SER A 49 -0.018 0.740 -6.629 1.00 0.00 C ATOM 678 C SER A 49 -0.972 -0.372 -6.203 1.00 0.00 C ATOM 679 O SER A 49 -1.859 -0.769 -6.958 1.00 0.00 O ATOM 680 CB SER A 49 1.138 0.152 -7.440 1.00 0.00 C ATOM 681 OG SER A 49 1.677 -0.993 -6.803 1.00 0.00 O ATOM 0 H SER A 49 1.087 0.903 -4.854 1.00 0.00 H new ATOM 0 HA SER A 49 -0.566 1.447 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.788 -0.114 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.918 0.903 -7.565 1.00 0.00 H new ATOM 0 HG SER A 49 2.413 -1.351 -7.342 1.00 0.00 H new ATOM 687 N LYS A 50 -0.783 -0.871 -4.986 1.00 0.00 N ATOM 688 CA LYS A 50 -1.625 -1.937 -4.456 1.00 0.00 C ATOM 689 C LYS A 50 -1.570 -1.967 -2.932 1.00 0.00 C ATOM 690 O LYS A 50 -0.612 -1.486 -2.326 1.00 0.00 O ATOM 691 CB LYS A 50 -1.186 -3.290 -5.019 1.00 0.00 C ATOM 692 CG LYS A 50 -1.721 -4.477 -4.237 1.00 0.00 C ATOM 693 CD LYS A 50 -1.081 -5.778 -4.691 1.00 0.00 C ATOM 694 CE LYS A 50 -1.739 -6.982 -4.034 1.00 0.00 C ATOM 695 NZ LYS A 50 -1.716 -6.884 -2.549 1.00 0.00 N ATOM 0 H LYS A 50 -0.053 -0.554 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.653 -1.740 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.518 -3.368 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.097 -3.334 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.531 -4.329 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.802 -4.539 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.160 -5.865 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.018 -5.766 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.770 -7.064 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.226 -7.892 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.016 -7.790 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.751 -6.662 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.364 -6.132 -2.241 1.00 0.00 H new ATOM 709 N VAL A 51 -2.603 -2.536 -2.318 1.00 0.00 N ATOM 710 CA VAL A 51 -2.670 -2.631 -0.864 1.00 0.00 C ATOM 711 C VAL A 51 -3.469 -3.854 -0.430 1.00 0.00 C ATOM 712 O VAL A 51 -4.667 -3.954 -0.698 1.00 0.00 O ATOM 713 CB VAL A 51 -3.306 -1.371 -0.248 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.426 -1.516 1.261 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.497 -0.134 -0.610 1.00 0.00 C ATOM 0 H VAL A 51 -3.404 -2.938 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.645 -2.724 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.309 -1.254 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.878 -0.616 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.051 -2.378 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.435 -1.659 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.961 0.747 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.481 -0.240 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.469 -0.022 -1.694 1.00 0.00 H new ATOM 725 N SER A 52 -2.799 -4.784 0.243 1.00 0.00 N ATOM 726 CA SER A 52 -3.446 -6.004 0.712 1.00 0.00 C ATOM 727 C SER A 52 -4.544 -5.683 1.720 1.00 0.00 C ATOM 728 O SER A 52 -4.405 -4.802 2.569 1.00 0.00 O ATOM 729 CB SER A 52 -2.416 -6.942 1.344 1.00 0.00 C ATOM 730 OG SER A 52 -2.908 -8.269 1.412 1.00 0.00 O ATOM 0 H SER A 52 -1.808 -4.716 0.476 1.00 0.00 H new ATOM 0 HA SER A 52 -3.899 -6.499 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.495 -6.922 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.167 -6.592 2.346 1.00 0.00 H new ATOM 0 HG SER A 52 -2.230 -8.849 1.818 1.00 0.00 H new ATOM 736 N PRO A 53 -5.665 -6.414 1.626 1.00 0.00 N ATOM 737 CA PRO A 53 -6.810 -6.227 2.522 1.00 0.00 C ATOM 738 C PRO A 53 -6.513 -6.685 3.946 1.00 0.00 C ATOM 739 O PRO A 53 -7.230 -6.335 4.885 1.00 0.00 O ATOM 740 CB PRO A 53 -7.898 -7.102 1.895 1.00 0.00 C ATOM 741 CG PRO A 53 -7.154 -8.145 1.136 1.00 0.00 C ATOM 742 CD PRO A 53 -5.900 -7.481 0.639 1.00 0.00 C ATOM 0 HA PRO A 53 -7.088 -5.177 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.536 -7.547 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.545 -6.520 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.918 -8.997 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.750 -8.523 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.065 -8.180 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.030 -7.078 -0.365 1.00 0.00 H new ATOM 750 N THR A 54 -5.452 -7.470 4.101 1.00 0.00 N ATOM 751 CA THR A 54 -5.061 -7.977 5.411 1.00 0.00 C ATOM 752 C THR A 54 -3.829 -7.248 5.937 1.00 0.00 C ATOM 753 O THR A 54 -3.414 -7.454 7.076 1.00 0.00 O ATOM 754 CB THR A 54 -4.768 -9.488 5.364 1.00 0.00 C ATOM 755 OG1 THR A 54 -3.600 -9.737 4.574 1.00 0.00 O ATOM 756 CG2 THR A 54 -5.950 -10.250 4.784 1.00 0.00 C ATOM 0 H THR A 54 -4.848 -7.769 3.336 1.00 0.00 H new ATOM 0 HA THR A 54 -5.901 -7.798 6.083 1.00 0.00 H new ATOM 0 HB THR A 54 -4.597 -9.834 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.420 -10.700 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.720 -11.315 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.831 -10.082 5.404 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.147 -9.899 3.771 1.00 0.00 H new ATOM 764 N GLY A 55 -3.249 -6.395 5.098 1.00 0.00 N ATOM 765 CA GLY A 55 -2.070 -5.649 5.498 1.00 0.00 C ATOM 766 C GLY A 55 -2.401 -4.490 6.417 1.00 0.00 C ATOM 767 O GLY A 55 -3.455 -3.868 6.287 1.00 0.00 O ATOM 0 H GLY A 55 -3.574 -6.207 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.373 -6.319 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.564 -5.271 4.609 1.00 0.00 H new ATOM 771 N ALA A 56 -1.501 -4.202 7.351 1.00 0.00 N ATOM 772 CA ALA A 56 -1.703 -3.111 8.296 1.00 0.00 C ATOM 773 C ALA A 56 -2.381 -1.921 7.624 1.00 0.00 C ATOM 774 O ALA A 56 -3.162 -1.205 8.250 1.00 0.00 O ATOM 775 CB ALA A 56 -0.375 -2.688 8.906 1.00 0.00 C ATOM 0 H ALA A 56 -0.625 -4.709 7.474 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.358 -3.468 9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.541 -1.872 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.071 -3.534 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.298 -2.354 8.116 1.00 0.00 H new ATOM 781 N ALA A 57 -2.076 -1.716 6.347 1.00 0.00 N ATOM 782 CA ALA A 57 -2.657 -0.614 5.591 1.00 0.00 C ATOM 783 C ALA A 57 -4.109 -0.904 5.225 1.00 0.00 C ATOM 784 O ALA A 57 -5.020 -0.195 5.650 1.00 0.00 O ATOM 785 CB ALA A 57 -1.839 -0.345 4.336 1.00 0.00 C ATOM 0 H ALA A 57 -1.430 -2.299 5.815 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.639 0.275 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.285 0.481 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.818 -0.085 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.827 -1.238 3.711 1.00 0.00 H new ATOM 791 N GLY A 58 -4.317 -1.952 4.433 1.00 0.00 N ATOM 792 CA GLY A 58 -5.660 -2.317 4.023 1.00 0.00 C ATOM 793 C GLY A 58 -6.646 -2.288 5.174 1.00 0.00 C ATOM 794 O GLY A 58 -7.784 -1.848 5.015 1.00 0.00 O ATOM 0 H GLY A 58 -3.579 -2.554 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.997 -1.634 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.645 -3.316 3.587 1.00 0.00 H new ATOM 798 N ARG A 59 -6.209 -2.760 6.337 1.00 0.00 N ATOM 799 CA ARG A 59 -7.062 -2.789 7.519 1.00 0.00 C ATOM 800 C ARG A 59 -7.240 -1.388 8.096 1.00 0.00 C ATOM 801 O ARG A 59 -8.271 -1.077 8.693 1.00 0.00 O ATOM 802 CB ARG A 59 -6.468 -3.717 8.580 1.00 0.00 C ATOM 803 CG ARG A 59 -5.174 -3.200 9.186 1.00 0.00 C ATOM 804 CD ARG A 59 -4.966 -3.734 10.595 1.00 0.00 C ATOM 805 NE ARG A 59 -3.552 -3.933 10.901 1.00 0.00 N ATOM 806 CZ ARG A 59 -2.923 -5.093 10.750 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.579 -6.152 10.297 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.634 -5.195 11.050 1.00 0.00 N ATOM 0 H ARG A 59 -5.269 -3.128 6.486 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.040 -3.167 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.200 -3.861 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.285 -4.695 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.334 -3.493 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.191 -2.110 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.398 -3.038 11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.498 -4.679 10.707 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.018 -3.137 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.569 -6.077 10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.094 -7.042 10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.125 -4.382 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.152 -6.087 10.934 1.00 0.00 H new ATOM 822 N ASP A 60 -6.228 -0.546 7.914 1.00 0.00 N ATOM 823 CA ASP A 60 -6.273 0.823 8.415 1.00 0.00 C ATOM 824 C ASP A 60 -7.508 1.552 7.897 1.00 0.00 C ATOM 825 O ASP A 60 -8.431 1.848 8.655 1.00 0.00 O ATOM 826 CB ASP A 60 -5.009 1.580 8.005 1.00 0.00 C ATOM 827 CG ASP A 60 -5.017 3.020 8.480 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.884 3.791 8.019 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.156 3.376 9.312 1.00 0.00 O ATOM 0 H ASP A 60 -5.367 -0.788 7.423 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.327 0.784 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.136 1.071 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.912 1.559 6.919 1.00 0.00 H new ATOM 834 N GLY A 61 -7.519 1.839 6.599 1.00 0.00 N ATOM 835 CA GLY A 61 -8.645 2.532 6.001 1.00 0.00 C ATOM 836 C GLY A 61 -8.217 3.725 5.170 1.00 0.00 C ATOM 837 O GLY A 61 -8.953 4.175 4.292 1.00 0.00 O ATOM 0 H GLY A 61 -6.768 1.604 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.203 1.837 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.322 2.865 6.788 1.00 0.00 H new ATOM 841 N ARG A 62 -7.024 4.241 5.448 1.00 0.00 N ATOM 842 CA ARG A 62 -6.500 5.391 4.721 1.00 0.00 C ATOM 843 C ARG A 62 -5.578 4.946 3.590 1.00 0.00 C ATOM 844 O ARG A 62 -5.755 5.344 2.438 1.00 0.00 O ATOM 845 CB ARG A 62 -5.745 6.321 5.673 1.00 0.00 C ATOM 846 CG ARG A 62 -6.431 6.505 7.017 1.00 0.00 C ATOM 847 CD ARG A 62 -7.395 7.681 6.994 1.00 0.00 C ATOM 848 NE ARG A 62 -8.664 7.336 6.358 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.689 8.175 6.262 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.595 9.402 6.756 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.811 7.787 5.669 1.00 0.00 N ATOM 0 H ARG A 62 -6.402 3.881 6.172 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.342 5.930 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.743 5.923 5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.627 7.295 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.971 5.595 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.680 6.664 7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.580 8.018 8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.937 8.515 6.461 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.769 6.400 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.734 9.704 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.384 10.044 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.886 6.844 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.598 8.431 5.595 1.00 0.00 H new ATOM 865 N LEU A 63 -4.594 4.119 3.926 1.00 0.00 N ATOM 866 CA LEU A 63 -3.644 3.620 2.939 1.00 0.00 C ATOM 867 C LEU A 63 -4.353 2.799 1.866 1.00 0.00 C ATOM 868 O LEU A 63 -4.844 1.702 2.133 1.00 0.00 O ATOM 869 CB LEU A 63 -2.570 2.769 3.620 1.00 0.00 C ATOM 870 CG LEU A 63 -1.222 2.690 2.903 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.374 2.004 1.554 1.00 0.00 C ATOM 872 CD2 LEU A 63 -0.625 4.079 2.733 1.00 0.00 C ATOM 0 H LEU A 63 -4.434 3.780 4.875 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.171 4.478 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.403 3.164 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.957 1.757 3.737 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.542 2.097 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.404 1.957 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.756 0.994 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.071 2.569 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.334 4.003 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.303 4.697 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.478 4.534 3.712 1.00 0.00 H new ATOM 884 N ARG A 64 -4.401 3.338 0.652 1.00 0.00 N ATOM 885 CA ARG A 64 -5.050 2.656 -0.461 1.00 0.00 C ATOM 886 C ARG A 64 -4.434 3.081 -1.792 1.00 0.00 C ATOM 887 O ARG A 64 -4.183 4.264 -2.022 1.00 0.00 O ATOM 888 CB ARG A 64 -6.551 2.951 -0.464 1.00 0.00 C ATOM 889 CG ARG A 64 -6.879 4.435 -0.431 1.00 0.00 C ATOM 890 CD ARG A 64 -8.263 4.712 -0.998 1.00 0.00 C ATOM 891 NE ARG A 64 -9.303 3.969 -0.291 1.00 0.00 N ATOM 892 CZ ARG A 64 -10.602 4.122 -0.522 1.00 0.00 C ATOM 893 NH1 ARG A 64 -11.018 4.987 -1.437 1.00 0.00 N ATOM 894 NH2 ARG A 64 -11.487 3.410 0.163 1.00 0.00 N ATOM 0 H ARG A 64 -3.998 4.245 0.414 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.899 1.584 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.998 2.508 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.010 2.467 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.826 4.798 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.133 4.987 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.474 5.780 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.282 4.445 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.016 3.296 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.340 5.536 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.016 5.103 -1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.170 2.744 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.484 3.528 -0.015 1.00 0.00 H new ATOM 908 N VAL A 65 -4.194 2.107 -2.664 1.00 0.00 N ATOM 909 CA VAL A 65 -3.609 2.379 -3.972 1.00 0.00 C ATOM 910 C VAL A 65 -4.180 3.658 -4.574 1.00 0.00 C ATOM 911 O VAL A 65 -5.271 3.655 -5.144 1.00 0.00 O ATOM 912 CB VAL A 65 -3.849 1.213 -4.948 1.00 0.00 C ATOM 913 CG1 VAL A 65 -5.185 0.544 -4.663 1.00 0.00 C ATOM 914 CG2 VAL A 65 -3.784 1.701 -6.387 1.00 0.00 C ATOM 0 H VAL A 65 -4.396 1.123 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.536 2.500 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.062 0.473 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.337 -0.278 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.188 0.158 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.988 1.272 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.956 0.864 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.549 2.461 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.801 2.129 -6.582 1.00 0.00 H new ATOM 924 N GLY A 66 -3.436 4.752 -4.444 1.00 0.00 N ATOM 925 CA GLY A 66 -3.884 6.023 -4.980 1.00 0.00 C ATOM 926 C GLY A 66 -3.223 7.205 -4.301 1.00 0.00 C ATOM 927 O GLY A 66 -2.992 8.241 -4.926 1.00 0.00 O ATOM 0 H GLY A 66 -2.530 4.780 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.673 6.057 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.965 6.101 -4.866 1.00 0.00 H new ATOM 931 N LEU A 67 -2.918 7.053 -3.017 1.00 0.00 N ATOM 932 CA LEU A 67 -2.280 8.118 -2.250 1.00 0.00 C ATOM 933 C LEU A 67 -0.812 8.263 -2.638 1.00 0.00 C ATOM 934 O LEU A 67 -0.172 7.299 -3.058 1.00 0.00 O ATOM 935 CB LEU A 67 -2.398 7.835 -0.752 1.00 0.00 C ATOM 936 CG LEU A 67 -3.780 8.055 -0.134 1.00 0.00 C ATOM 937 CD1 LEU A 67 -4.734 6.948 -0.555 1.00 0.00 C ATOM 938 CD2 LEU A 67 -3.681 8.129 1.382 1.00 0.00 C ATOM 0 H LEU A 67 -3.102 6.203 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.791 9.053 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.103 6.801 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.682 8.466 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.173 9.004 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.712 7.121 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.829 6.943 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.346 5.986 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.674 8.286 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.267 7.197 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.032 8.958 1.664 1.00 0.00 H new ATOM 950 N ARG A 68 -0.284 9.474 -2.492 1.00 0.00 N ATOM 951 CA ARG A 68 1.109 9.745 -2.825 1.00 0.00 C ATOM 952 C ARG A 68 1.985 9.703 -1.576 1.00 0.00 C ATOM 953 O ARG A 68 1.820 10.512 -0.662 1.00 0.00 O ATOM 954 CB ARG A 68 1.237 11.110 -3.505 1.00 0.00 C ATOM 955 CG ARG A 68 2.621 11.381 -4.072 1.00 0.00 C ATOM 956 CD ARG A 68 2.717 12.779 -4.662 1.00 0.00 C ATOM 957 NE ARG A 68 3.906 12.941 -5.494 1.00 0.00 N ATOM 958 CZ ARG A 68 4.152 14.025 -6.222 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.295 15.037 -6.220 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.257 14.098 -6.953 1.00 0.00 N ATOM 0 H ARG A 68 -0.800 10.283 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 68 1.449 8.971 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.505 11.176 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.990 11.890 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.367 11.265 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.851 10.644 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.827 12.983 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.736 13.512 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 68 4.585 12.180 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.445 14.984 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.486 15.868 -6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.918 13.322 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.445 14.931 -7.512 1.00 0.00 H new ATOM 974 N LEU A 69 2.916 8.756 -1.545 1.00 0.00 N ATOM 975 CA LEU A 69 3.819 8.608 -0.408 1.00 0.00 C ATOM 976 C LEU A 69 4.746 9.813 -0.289 1.00 0.00 C ATOM 977 O LEU A 69 5.689 9.964 -1.067 1.00 0.00 O ATOM 978 CB LEU A 69 4.643 7.328 -0.550 1.00 0.00 C ATOM 979 CG LEU A 69 4.127 6.108 0.214 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.448 6.231 1.695 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.629 5.942 0.002 1.00 0.00 C ATOM 0 H LEU A 69 3.066 8.079 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 69 3.216 8.546 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.699 7.072 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.660 7.536 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 69 4.629 5.221 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.073 5.354 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.527 6.301 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.974 7.126 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.278 5.069 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.110 6.831 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.425 5.807 -1.060 1.00 0.00 H new ATOM 993 N LEU A 70 4.474 10.667 0.692 1.00 0.00 N ATOM 994 CA LEU A 70 5.286 11.858 0.916 1.00 0.00 C ATOM 995 C LEU A 70 6.558 11.514 1.684 1.00 0.00 C ATOM 996 O LEU A 70 7.657 11.897 1.284 1.00 0.00 O ATOM 997 CB LEU A 70 4.482 12.910 1.683 1.00 0.00 C ATOM 998 CG LEU A 70 3.700 13.911 0.831 1.00 0.00 C ATOM 999 CD1 LEU A 70 2.727 13.186 -0.085 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.963 14.904 1.717 1.00 0.00 C ATOM 0 H LEU A 70 3.698 10.557 1.345 1.00 0.00 H new ATOM 0 HA LEU A 70 5.569 12.263 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.780 12.395 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.167 13.466 2.324 1.00 0.00 H new ATOM 0 HG LEU A 70 4.407 14.463 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.179 13.914 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.279 12.516 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.024 12.608 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.412 15.609 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.266 14.369 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.682 15.447 2.331 1.00 0.00 H new ATOM 1012 N GLU A 71 6.400 10.788 2.786 1.00 0.00 N ATOM 1013 CA GLU A 71 7.537 10.392 3.608 1.00 0.00 C ATOM 1014 C GLU A 71 7.188 9.184 4.473 1.00 0.00 C ATOM 1015 O GLU A 71 6.055 9.043 4.935 1.00 0.00 O ATOM 1016 CB GLU A 71 7.984 11.556 4.495 1.00 0.00 C ATOM 1017 CG GLU A 71 8.076 12.882 3.758 1.00 0.00 C ATOM 1018 CD GLU A 71 8.513 14.020 4.659 1.00 0.00 C ATOM 1019 OE1 GLU A 71 7.911 14.185 5.741 1.00 0.00 O ATOM 1020 OE2 GLU A 71 9.456 14.747 4.283 1.00 0.00 O ATOM 0 H GLU A 71 5.497 10.462 3.130 1.00 0.00 H new ATOM 0 HA GLU A 71 8.355 10.117 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.285 11.659 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.957 11.321 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.781 12.786 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.105 13.120 3.323 1.00 0.00 H new ATOM 1027 N VAL A 72 8.170 8.314 4.688 1.00 0.00 N ATOM 1028 CA VAL A 72 7.968 7.118 5.497 1.00 0.00 C ATOM 1029 C VAL A 72 8.819 7.160 6.761 1.00 0.00 C ATOM 1030 O VAL A 72 10.043 7.050 6.701 1.00 0.00 O ATOM 1031 CB VAL A 72 8.306 5.841 4.705 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.221 4.617 5.605 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.381 5.697 3.506 1.00 0.00 C ATOM 0 H VAL A 72 9.113 8.415 4.313 1.00 0.00 H new ATOM 0 HA VAL A 72 6.914 7.096 5.773 1.00 0.00 H new ATOM 0 HB VAL A 72 9.329 5.922 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.463 3.724 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.928 4.721 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.211 4.528 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.634 4.789 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.348 5.638 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.497 6.561 2.851 1.00 0.00 H new ATOM 1043 N ASN A 73 8.162 7.319 7.906 1.00 0.00 N ATOM 1044 CA ASN A 73 8.859 7.375 9.185 1.00 0.00 C ATOM 1045 C ASN A 73 9.757 8.606 9.262 1.00 0.00 C ATOM 1046 O ASN A 73 10.877 8.539 9.767 1.00 0.00 O ATOM 1047 CB ASN A 73 9.693 6.109 9.392 1.00 0.00 C ATOM 1048 CG ASN A 73 8.937 5.037 10.153 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.054 5.336 10.956 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.283 3.779 9.903 1.00 0.00 N ATOM 0 H ASN A 73 7.148 7.411 7.973 1.00 0.00 H new ATOM 0 HA ASN A 73 8.111 7.442 9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.998 5.716 8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.604 6.362 9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.810 3.015 10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.021 3.578 9.229 1.00 0.00 H new ATOM 1057 N GLN A 74 9.255 9.730 8.759 1.00 0.00 N ATOM 1058 CA GLN A 74 10.012 10.976 8.771 1.00 0.00 C ATOM 1059 C GLN A 74 11.259 10.865 7.900 1.00 0.00 C ATOM 1060 O GLN A 74 12.271 11.512 8.164 1.00 0.00 O ATOM 1061 CB GLN A 74 10.407 11.344 10.202 1.00 0.00 C ATOM 1062 CG GLN A 74 9.230 11.753 11.072 1.00 0.00 C ATOM 1063 CD GLN A 74 9.502 11.561 12.551 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.220 12.348 13.169 1.00 0.00 O ATOM 1065 NE2 GLN A 74 8.929 10.512 13.128 1.00 0.00 N ATOM 0 H GLN A 74 8.328 9.803 8.339 1.00 0.00 H new ATOM 0 HA GLN A 74 9.375 11.761 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.909 10.493 10.662 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.127 12.161 10.172 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.990 12.800 10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.354 11.169 10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.341 9.885 12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.076 10.333 14.121 1.00 0.00 H new ATOM 1074 N GLN A 75 11.177 10.039 6.861 1.00 0.00 N ATOM 1075 CA GLN A 75 12.300 9.842 5.952 1.00 0.00 C ATOM 1076 C GLN A 75 11.896 10.150 4.514 1.00 0.00 C ATOM 1077 O GLN A 75 11.429 9.271 3.789 1.00 0.00 O ATOM 1078 CB GLN A 75 12.819 8.407 6.053 1.00 0.00 C ATOM 1079 CG GLN A 75 13.012 7.929 7.483 1.00 0.00 C ATOM 1080 CD GLN A 75 14.421 8.163 7.992 1.00 0.00 C ATOM 1081 OE1 GLN A 75 14.884 9.301 8.069 1.00 0.00 O ATOM 1082 NE2 GLN A 75 15.111 7.084 8.343 1.00 0.00 N ATOM 0 H GLN A 75 10.345 9.496 6.628 1.00 0.00 H new ATOM 0 HA GLN A 75 13.095 10.529 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.121 7.740 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.769 8.335 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.305 8.445 8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.781 6.865 7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.688 6.159 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.064 7.180 8.693 1.00 0.00 H new ATOM 1091 N SER A 76 12.078 11.402 4.108 1.00 0.00 N ATOM 1092 CA SER A 76 11.728 11.827 2.757 1.00 0.00 C ATOM 1093 C SER A 76 12.214 10.812 1.726 1.00 0.00 C ATOM 1094 O SER A 76 13.371 10.391 1.749 1.00 0.00 O ATOM 1095 CB SER A 76 12.331 13.201 2.460 1.00 0.00 C ATOM 1096 OG SER A 76 11.964 13.650 1.167 1.00 0.00 O ATOM 0 H SER A 76 12.466 12.140 4.695 1.00 0.00 H new ATOM 0 HA SER A 76 10.642 11.893 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.993 13.919 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.417 13.149 2.536 1.00 0.00 H new ATOM 0 HG SER A 76 12.360 14.531 1.002 1.00 0.00 H new ATOM 1102 N LEU A 77 11.321 10.423 0.823 1.00 0.00 N ATOM 1103 CA LEU A 77 11.656 9.457 -0.218 1.00 0.00 C ATOM 1104 C LEU A 77 12.412 10.128 -1.360 1.00 0.00 C ATOM 1105 O LEU A 77 12.783 9.480 -2.339 1.00 0.00 O ATOM 1106 CB LEU A 77 10.387 8.792 -0.752 1.00 0.00 C ATOM 1107 CG LEU A 77 9.458 8.179 0.296 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.286 7.478 -0.374 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.224 7.209 1.185 1.00 0.00 C ATOM 0 H LEU A 77 10.359 10.761 0.790 1.00 0.00 H new ATOM 0 HA LEU A 77 12.300 8.695 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.823 9.533 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.678 8.009 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 77 9.066 8.982 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.636 7.048 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.723 8.198 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.659 6.685 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.547 6.782 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.644 6.410 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.029 7.739 1.693 1.00 0.00 H new ATOM 1121 N LEU A 78 12.640 11.430 -1.227 1.00 0.00 N ATOM 1122 CA LEU A 78 13.355 12.190 -2.247 1.00 0.00 C ATOM 1123 C LEU A 78 14.849 11.889 -2.203 1.00 0.00 C ATOM 1124 O LEU A 78 15.515 12.145 -1.200 1.00 0.00 O ATOM 1125 CB LEU A 78 13.118 13.689 -2.054 1.00 0.00 C ATOM 1126 CG LEU A 78 13.340 14.568 -3.285 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.730 14.341 -3.859 1.00 0.00 C ATOM 1128 CD2 LEU A 78 12.275 14.292 -4.337 1.00 0.00 C ATOM 0 H LEU A 78 12.340 11.982 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 78 12.972 11.891 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.094 13.833 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.775 14.041 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 78 13.260 15.612 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.870 14.975 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.479 14.590 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.838 13.295 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.449 14.927 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.322 13.245 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.290 14.506 -3.922 1.00 0.00 H new ATOM 1140 N GLY A 79 15.372 11.347 -3.298 1.00 0.00 N ATOM 1141 CA GLY A 79 16.785 11.022 -3.364 1.00 0.00 C ATOM 1142 C GLY A 79 17.030 9.545 -3.597 1.00 0.00 C ATOM 1143 O GLY A 79 17.993 9.165 -4.266 1.00 0.00 O ATOM 0 H GLY A 79 14.842 11.127 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.249 11.595 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.268 11.325 -2.435 1.00 0.00 H new ATOM 1147 N LEU A 80 16.159 8.708 -3.044 1.00 0.00 N ATOM 1148 CA LEU A 80 16.287 7.262 -3.194 1.00 0.00 C ATOM 1149 C LEU A 80 15.477 6.765 -4.386 1.00 0.00 C ATOM 1150 O LEU A 80 14.703 7.515 -4.983 1.00 0.00 O ATOM 1151 CB LEU A 80 15.825 6.555 -1.918 1.00 0.00 C ATOM 1152 CG LEU A 80 14.672 7.218 -1.163 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.823 6.171 -0.460 1.00 0.00 C ATOM 1154 CD2 LEU A 80 15.204 8.235 -0.164 1.00 0.00 C ATOM 0 H LEU A 80 15.357 9.005 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 80 17.337 7.031 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.527 5.539 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.677 6.475 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 80 14.044 7.741 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.008 6.661 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.412 5.481 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.439 5.619 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.370 8.697 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.855 7.735 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.769 9.003 -0.692 1.00 0.00 H new ATOM 1166 N THR A 81 15.657 5.493 -4.729 1.00 0.00 N ATOM 1167 CA THR A 81 14.942 4.894 -5.849 1.00 0.00 C ATOM 1168 C THR A 81 13.907 3.886 -5.365 1.00 0.00 C ATOM 1169 O THR A 81 13.961 3.423 -4.225 1.00 0.00 O ATOM 1170 CB THR A 81 15.909 4.193 -6.822 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.754 3.286 -6.104 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.764 5.210 -7.563 1.00 0.00 C ATOM 0 H THR A 81 16.292 4.858 -4.247 1.00 0.00 H new ATOM 0 HA THR A 81 14.437 5.706 -6.372 1.00 0.00 H new ATOM 0 HB THR A 81 15.317 3.639 -7.551 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.365 2.843 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.439 4.691 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.120 5.881 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.347 5.787 -6.845 1.00 0.00 H new ATOM 1180 N HIS A 82 12.963 3.548 -6.238 1.00 0.00 N ATOM 1181 CA HIS A 82 11.914 2.593 -5.899 1.00 0.00 C ATOM 1182 C HIS A 82 12.439 1.526 -4.943 1.00 0.00 C ATOM 1183 O HIS A 82 11.887 1.321 -3.863 1.00 0.00 O ATOM 1184 CB HIS A 82 11.367 1.934 -7.166 1.00 0.00 C ATOM 1185 CG HIS A 82 9.953 1.458 -7.030 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.557 0.176 -7.349 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.840 2.099 -6.606 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.261 0.050 -7.128 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.802 1.203 -6.676 1.00 0.00 N ATOM 0 H HIS A 82 12.903 3.921 -7.185 1.00 0.00 H new ATOM 0 HA HIS A 82 11.109 3.135 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.425 2.645 -7.990 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.003 1.089 -7.430 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.169 -0.560 -7.701 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.779 3.125 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.676 -0.844 -7.289 1.00 0.00 H new ATOM 1198 N GLY A 83 13.510 0.850 -5.349 1.00 0.00 N ATOM 1199 CA GLY A 83 14.091 -0.188 -4.516 1.00 0.00 C ATOM 1200 C GLY A 83 14.326 0.275 -3.092 1.00 0.00 C ATOM 1201 O GLY A 83 13.940 -0.403 -2.141 1.00 0.00 O ATOM 0 H GLY A 83 13.985 1.002 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.431 -1.055 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.037 -0.511 -4.950 1.00 0.00 H new ATOM 1205 N GLU A 84 14.963 1.433 -2.946 1.00 0.00 N ATOM 1206 CA GLU A 84 15.252 1.984 -1.627 1.00 0.00 C ATOM 1207 C GLU A 84 13.967 2.406 -0.921 1.00 0.00 C ATOM 1208 O GLU A 84 13.717 2.019 0.220 1.00 0.00 O ATOM 1209 CB GLU A 84 16.198 3.180 -1.745 1.00 0.00 C ATOM 1210 CG GLU A 84 17.669 2.799 -1.709 1.00 0.00 C ATOM 1211 CD GLU A 84 18.152 2.470 -0.310 1.00 0.00 C ATOM 1212 OE1 GLU A 84 17.718 3.149 0.643 1.00 0.00 O ATOM 1213 OE2 GLU A 84 18.964 1.532 -0.168 1.00 0.00 O ATOM 0 H GLU A 84 15.288 2.007 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 84 15.734 1.206 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.990 3.706 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.992 3.877 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.834 1.939 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.263 3.620 -2.111 1.00 0.00 H new ATOM 1220 N ALA A 85 13.155 3.203 -1.608 1.00 0.00 N ATOM 1221 CA ALA A 85 11.896 3.677 -1.048 1.00 0.00 C ATOM 1222 C ALA A 85 11.105 2.531 -0.426 1.00 0.00 C ATOM 1223 O ALA A 85 10.629 2.633 0.704 1.00 0.00 O ATOM 1224 CB ALA A 85 11.069 4.370 -2.121 1.00 0.00 C ATOM 0 H ALA A 85 13.347 3.534 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 85 12.125 4.395 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.131 4.719 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.625 5.220 -2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.858 3.668 -2.928 1.00 0.00 H new ATOM 1230 N VAL A 86 10.969 1.439 -1.173 1.00 0.00 N ATOM 1231 CA VAL A 86 10.236 0.273 -0.694 1.00 0.00 C ATOM 1232 C VAL A 86 10.834 -0.257 0.604 1.00 0.00 C ATOM 1233 O VAL A 86 10.133 -0.410 1.604 1.00 0.00 O ATOM 1234 CB VAL A 86 10.231 -0.855 -1.742 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.541 -2.094 -1.191 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.559 -0.388 -3.025 1.00 0.00 C ATOM 0 H VAL A 86 11.357 1.338 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 86 9.211 0.596 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 86 11.264 -1.116 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.547 -2.880 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.069 -2.440 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.511 -1.851 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.565 -1.198 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.530 -0.098 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.101 0.467 -3.429 1.00 0.00 H new ATOM 1246 N GLN A 87 12.133 -0.535 0.581 1.00 0.00 N ATOM 1247 CA GLN A 87 12.826 -1.049 1.757 1.00 0.00 C ATOM 1248 C GLN A 87 12.661 -0.103 2.941 1.00 0.00 C ATOM 1249 O GLN A 87 12.805 -0.506 4.096 1.00 0.00 O ATOM 1250 CB GLN A 87 14.311 -1.251 1.452 1.00 0.00 C ATOM 1251 CG GLN A 87 14.576 -2.302 0.386 1.00 0.00 C ATOM 1252 CD GLN A 87 13.826 -3.594 0.642 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.185 -4.368 1.530 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.779 -3.835 -0.137 1.00 0.00 N ATOM 0 H GLN A 87 12.727 -0.413 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 87 12.383 -2.010 2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.739 -0.302 1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.826 -1.538 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.289 -1.906 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.645 -2.509 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.517 -3.166 -0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.236 -4.690 -0.012 1.00 0.00 H new ATOM 1263 N LEU A 88 12.360 1.157 2.648 1.00 0.00 N ATOM 1264 CA LEU A 88 12.176 2.162 3.690 1.00 0.00 C ATOM 1265 C LEU A 88 10.822 1.998 4.372 1.00 0.00 C ATOM 1266 O LEU A 88 10.652 2.365 5.536 1.00 0.00 O ATOM 1267 CB LEU A 88 12.294 3.567 3.097 1.00 0.00 C ATOM 1268 CG LEU A 88 12.844 4.646 4.031 1.00 0.00 C ATOM 1269 CD1 LEU A 88 13.008 5.963 3.288 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.932 4.822 5.237 1.00 0.00 C ATOM 0 H LEU A 88 12.238 1.507 1.698 1.00 0.00 H new ATOM 0 HA LEU A 88 12.957 2.022 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.935 3.515 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.307 3.879 2.755 1.00 0.00 H new ATOM 0 HG LEU A 88 13.825 4.328 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.400 6.718 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.701 5.828 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.041 6.287 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.338 5.593 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.938 5.117 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.866 3.881 5.783 1.00 0.00 H new ATOM 1282 N LEU A 89 9.861 1.444 3.641 1.00 0.00 N ATOM 1283 CA LEU A 89 8.521 1.228 4.176 1.00 0.00 C ATOM 1284 C LEU A 89 8.460 -0.060 4.992 1.00 0.00 C ATOM 1285 O LEU A 89 7.670 -0.177 5.928 1.00 0.00 O ATOM 1286 CB LEU A 89 7.499 1.174 3.039 1.00 0.00 C ATOM 1287 CG LEU A 89 7.240 -0.207 2.435 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.155 -0.935 3.212 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.856 -0.083 0.967 1.00 0.00 C ATOM 0 H LEU A 89 9.985 1.136 2.676 1.00 0.00 H new ATOM 0 HA LEU A 89 8.281 2.064 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.553 1.570 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.835 1.839 2.244 1.00 0.00 H new ATOM 0 HG LEU A 89 8.159 -0.790 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.985 -1.916 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.469 -1.056 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.232 -0.356 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.675 -1.075 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.951 0.518 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.666 0.397 0.418 1.00 0.00 H new ATOM 1301 N ARG A 90 9.303 -1.022 4.631 1.00 0.00 N ATOM 1302 CA ARG A 90 9.346 -2.301 5.329 1.00 0.00 C ATOM 1303 C ARG A 90 10.385 -2.276 6.446 1.00 0.00 C ATOM 1304 O ARG A 90 10.584 -3.270 7.145 1.00 0.00 O ATOM 1305 CB ARG A 90 9.663 -3.432 4.349 1.00 0.00 C ATOM 1306 CG ARG A 90 10.857 -3.144 3.453 1.00 0.00 C ATOM 1307 CD ARG A 90 11.403 -4.418 2.827 1.00 0.00 C ATOM 1308 NE ARG A 90 12.307 -5.128 3.729 1.00 0.00 N ATOM 1309 CZ ARG A 90 12.868 -6.295 3.438 1.00 0.00 C ATOM 1310 NH1 ARG A 90 12.622 -6.882 2.275 1.00 0.00 N ATOM 1311 NH2 ARG A 90 13.680 -6.879 4.311 1.00 0.00 N ATOM 0 H ARG A 90 9.965 -0.940 3.859 1.00 0.00 H new ATOM 0 HA ARG A 90 8.366 -2.477 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.853 -4.346 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.788 -3.618 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.564 -2.448 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.641 -2.658 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.575 -5.072 2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.930 -4.172 1.905 1.00 0.00 H new ATOM 0 HE ARG A 90 12.519 -4.703 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.000 -6.437 1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.055 -7.779 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.873 -6.431 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.111 -7.776 4.086 1.00 0.00 H new ATOM 1325 N SER A 91 11.045 -1.133 6.608 1.00 0.00 N ATOM 1326 CA SER A 91 12.067 -0.980 7.637 1.00 0.00 C ATOM 1327 C SER A 91 11.472 -0.381 8.908 1.00 0.00 C ATOM 1328 O SER A 91 12.163 0.289 9.675 1.00 0.00 O ATOM 1329 CB SER A 91 13.205 -0.094 7.127 1.00 0.00 C ATOM 1330 OG SER A 91 14.192 0.095 8.126 1.00 0.00 O ATOM 0 H SER A 91 10.890 -0.300 6.040 1.00 0.00 H new ATOM 0 HA SER A 91 12.462 -1.968 7.872 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.657 -0.549 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.807 0.872 6.817 1.00 0.00 H new ATOM 0 HG SER A 91 13.769 0.427 8.945 1.00 0.00 H new ATOM 1336 N VAL A 92 10.184 -0.628 9.124 1.00 0.00 N ATOM 1337 CA VAL A 92 9.495 -0.116 10.303 1.00 0.00 C ATOM 1338 C VAL A 92 9.175 -1.238 11.284 1.00 0.00 C ATOM 1339 O VAL A 92 8.793 -2.337 10.884 1.00 0.00 O ATOM 1340 CB VAL A 92 8.188 0.605 9.919 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.340 -0.274 9.013 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.414 1.002 11.167 1.00 0.00 C ATOM 0 H VAL A 92 9.597 -1.179 8.498 1.00 0.00 H new ATOM 0 HA VAL A 92 10.169 0.596 10.779 1.00 0.00 H new ATOM 0 HB VAL A 92 8.441 1.513 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.421 0.252 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.897 -0.504 8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.093 -1.200 9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.494 1.510 10.878 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.170 0.109 11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.023 1.671 11.775 1.00 0.00 H new ATOM 1352 N GLY A 93 9.333 -0.952 12.573 1.00 0.00 N ATOM 1353 CA GLY A 93 9.056 -1.947 13.592 1.00 0.00 C ATOM 1354 C GLY A 93 7.621 -2.434 13.553 1.00 0.00 C ATOM 1355 O GLY A 93 7.275 -3.306 12.756 1.00 0.00 O ATOM 0 H GLY A 93 9.648 -0.050 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.728 -2.795 13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.266 -1.524 14.575 1.00 0.00 H new ATOM 1359 N ASP A 94 6.783 -1.870 14.417 1.00 0.00 N ATOM 1360 CA ASP A 94 5.377 -2.252 14.479 1.00 0.00 C ATOM 1361 C ASP A 94 4.480 -1.093 14.055 1.00 0.00 C ATOM 1362 O ASP A 94 3.282 -1.270 13.831 1.00 0.00 O ATOM 1363 CB ASP A 94 5.012 -2.705 15.893 1.00 0.00 C ATOM 1364 CG ASP A 94 4.963 -1.553 16.876 1.00 0.00 C ATOM 1365 OD1 ASP A 94 5.775 -0.615 16.732 1.00 0.00 O ATOM 1366 OD2 ASP A 94 4.112 -1.588 17.789 1.00 0.00 O ATOM 0 H ASP A 94 7.053 -1.147 15.084 1.00 0.00 H new ATOM 0 HA ASP A 94 5.220 -3.081 13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.043 -3.203 15.873 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.741 -3.440 16.235 1.00 0.00 H new ATOM 1371 N THR A 95 5.068 0.095 13.948 1.00 0.00 N ATOM 1372 CA THR A 95 4.322 1.284 13.554 1.00 0.00 C ATOM 1373 C THR A 95 5.216 2.274 12.818 1.00 0.00 C ATOM 1374 O THR A 95 6.356 2.515 13.219 1.00 0.00 O ATOM 1375 CB THR A 95 3.695 1.984 14.774 1.00 0.00 C ATOM 1376 OG1 THR A 95 3.237 1.009 15.717 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.536 2.873 14.352 1.00 0.00 C ATOM 0 H THR A 95 6.058 0.259 14.129 1.00 0.00 H new ATOM 0 HA THR A 95 3.526 0.952 12.887 1.00 0.00 H new ATOM 0 HB THR A 95 4.459 2.607 15.239 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.841 1.463 16.490 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.110 3.356 15.231 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.894 3.633 13.658 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.772 2.268 13.864 1.00 0.00 H new ATOM 1385 N LEU A 96 4.694 2.847 11.739 1.00 0.00 N ATOM 1386 CA LEU A 96 5.445 3.814 10.946 1.00 0.00 C ATOM 1387 C LEU A 96 4.662 5.113 10.786 1.00 0.00 C ATOM 1388 O LEU A 96 3.472 5.176 11.095 1.00 0.00 O ATOM 1389 CB LEU A 96 5.773 3.231 9.571 1.00 0.00 C ATOM 1390 CG LEU A 96 4.760 3.517 8.461 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.353 3.190 7.100 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.480 2.726 8.691 1.00 0.00 C ATOM 0 H LEU A 96 3.753 2.659 11.393 1.00 0.00 H new ATOM 0 HA LEU A 96 6.374 4.034 11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.743 3.616 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.876 2.151 9.672 1.00 0.00 H new ATOM 0 HG LEU A 96 4.516 4.579 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.618 3.400 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.241 3.800 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.626 2.135 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.771 2.942 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.707 1.660 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.044 3.009 9.649 1.00 0.00 H new ATOM 1404 N THR A 97 5.338 6.150 10.300 1.00 0.00 N ATOM 1405 CA THR A 97 4.706 7.448 10.098 1.00 0.00 C ATOM 1406 C THR A 97 4.680 7.822 8.621 1.00 0.00 C ATOM 1407 O THR A 97 5.663 8.328 8.080 1.00 0.00 O ATOM 1408 CB THR A 97 5.434 8.555 10.883 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.966 8.023 12.102 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.489 9.706 11.197 1.00 0.00 C ATOM 0 H THR A 97 6.323 6.116 10.039 1.00 0.00 H new ATOM 0 HA THR A 97 3.684 7.363 10.467 1.00 0.00 H new ATOM 0 HB THR A 97 6.249 8.932 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.429 8.733 12.594 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.025 10.476 11.752 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.108 10.128 10.267 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.656 9.340 11.797 1.00 0.00 H new ATOM 1418 N VAL A 98 3.547 7.571 7.971 1.00 0.00 N ATOM 1419 CA VAL A 98 3.392 7.884 6.556 1.00 0.00 C ATOM 1420 C VAL A 98 2.693 9.225 6.363 1.00 0.00 C ATOM 1421 O VAL A 98 1.648 9.485 6.961 1.00 0.00 O ATOM 1422 CB VAL A 98 2.591 6.790 5.824 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.181 5.417 6.105 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.125 6.842 6.230 1.00 0.00 C ATOM 0 H VAL A 98 2.723 7.152 8.403 1.00 0.00 H new ATOM 0 HA VAL A 98 4.395 7.936 6.131 1.00 0.00 H new ATOM 0 HB VAL A 98 2.655 6.974 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.602 4.658 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.215 5.388 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.150 5.220 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.574 6.063 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.039 6.684 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.710 7.817 5.972 1.00 0.00 H new ATOM 1434 N LEU A 99 3.276 10.074 5.524 1.00 0.00 N ATOM 1435 CA LEU A 99 2.710 11.390 5.250 1.00 0.00 C ATOM 1436 C LEU A 99 1.878 11.370 3.972 1.00 0.00 C ATOM 1437 O LEU A 99 1.683 12.402 3.329 1.00 0.00 O ATOM 1438 CB LEU A 99 3.824 12.432 5.131 1.00 0.00 C ATOM 1439 CG LEU A 99 3.376 13.894 5.115 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.527 14.206 6.338 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.582 14.820 5.050 1.00 0.00 C ATOM 0 H LEU A 99 4.141 9.874 5.021 1.00 0.00 H new ATOM 0 HA LEU A 99 2.058 11.658 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.514 12.293 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.383 12.234 4.217 1.00 0.00 H new ATOM 0 HG LEU A 99 2.768 14.058 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.218 15.251 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.645 13.566 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.110 14.025 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.245 15.856 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.216 14.654 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.150 14.614 4.143 1.00 0.00 H new ATOM 1453 N VAL A 100 1.388 10.189 3.609 1.00 0.00 N ATOM 1454 CA VAL A 100 0.574 10.035 2.409 1.00 0.00 C ATOM 1455 C VAL A 100 -0.573 11.039 2.391 1.00 0.00 C ATOM 1456 O VAL A 100 -0.683 11.887 3.277 1.00 0.00 O ATOM 1457 CB VAL A 100 -0.003 8.611 2.302 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.115 7.579 2.319 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.996 8.352 3.425 1.00 0.00 C ATOM 0 H VAL A 100 1.541 9.325 4.129 1.00 0.00 H new ATOM 0 HA VAL A 100 1.228 10.219 1.557 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.532 8.523 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.688 6.579 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.784 7.753 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.675 7.664 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.393 7.341 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.494 8.459 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.813 9.070 3.361 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.425 10.937 1.377 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.565 11.836 1.242 1.00 0.00 C ATOM 1471 C CYS A 101 -3.440 11.432 0.059 1.00 0.00 C ATOM 1472 O CYS A 101 -2.965 10.816 -0.895 1.00 0.00 O ATOM 1473 CB CYS A 101 -2.085 13.278 1.068 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.598 13.695 -0.623 1.00 0.00 S ATOM 0 H CYS A 101 -1.348 10.240 0.636 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.161 11.766 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.879 13.955 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.238 13.450 1.732 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.210 14.935 -0.669 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.719 11.782 0.131 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.661 11.455 -0.933 1.00 0.00 C ATOM 1482 C ASP A 102 -5.174 11.993 -2.275 1.00 0.00 C ATOM 1483 O ASP A 102 -5.239 13.194 -2.534 1.00 0.00 O ATOM 1484 CB ASP A 102 -7.044 12.026 -0.613 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.359 11.981 0.869 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.767 12.778 1.627 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -8.198 11.148 1.272 1.00 0.00 O ATOM 0 H ASP A 102 -5.127 12.292 0.914 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.731 10.369 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.098 13.057 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.801 11.464 -1.160 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.684 11.095 -3.125 1.00 0.00 N ATOM 1493 CA GLY A 103 -4.191 11.499 -4.429 1.00 0.00 C ATOM 1494 C GLY A 103 -5.227 11.319 -5.521 1.00 0.00 C ATOM 1495 O GLY A 103 -5.559 12.266 -6.234 1.00 0.00 O ATOM 0 H GLY A 103 -4.620 10.095 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.886 12.545 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.303 10.916 -4.675 1.00 0.00 H new