USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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 Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 84:sc= 0.101 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -83:sc= 0.404 USER MOD Single : A 31 THR OG1 : rot -90:sc= 0.629 USER MOD Single : A 33 SER OG : rot 180:sc=-0.00571 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.34) USER MOD Single : A 46 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 47 CYS SG : rot 81:sc= -2.06! USER MOD Single : A 48 THR OG1 : rot 75:sc= 0.621 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= -0.104 (180deg=-0.824) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 141:sc= 0 (180deg=-0.611) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 147:sc= 0 (180deg=-0.138) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 72 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.773 K(o=0.77,f=-0.02) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 90 GLN : amide:sc= -1.69 K(o=-1.7,f=-7.5!) USER MOD Single : A 94 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 130:sc= -1.58! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 2.836 10.365 -5.745 1.00 0.00 N ATOM 127 CA PHE A 18 2.036 9.257 -6.252 1.00 0.00 C ATOM 128 C PHE A 18 2.825 8.436 -7.269 1.00 0.00 C ATOM 129 O PHE A 18 2.642 7.224 -7.378 1.00 0.00 O ATOM 130 CB PHE A 18 0.748 9.780 -6.890 1.00 0.00 C ATOM 131 CG PHE A 18 -0.113 8.699 -7.477 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.360 7.532 -6.770 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.677 8.848 -8.734 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.151 6.534 -7.308 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.470 7.854 -9.275 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.707 6.697 -8.561 1.00 0.00 C ATOM 0 HA PHE A 18 1.780 8.612 -5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.174 10.322 -6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.004 10.494 -7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.070 7.401 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.495 9.751 -9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.334 5.628 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.904 7.982 -10.256 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.327 5.920 -8.982 1.00 0.00 H new ATOM 146 N SER A 19 3.701 9.107 -8.009 1.00 0.00 N ATOM 147 CA SER A 19 4.515 8.442 -9.020 1.00 0.00 C ATOM 148 C SER A 19 5.486 7.459 -8.375 1.00 0.00 C ATOM 149 O SER A 19 5.828 6.432 -8.962 1.00 0.00 O ATOM 150 CB SER A 19 5.287 9.475 -9.843 1.00 0.00 C ATOM 151 OG SER A 19 4.420 10.195 -10.701 1.00 0.00 O ATOM 0 H SER A 19 3.866 10.110 -7.928 1.00 0.00 H new ATOM 0 HA SER A 19 3.849 7.886 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.800 10.167 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.054 8.974 -10.433 1.00 0.00 H new ATOM 0 HG SER A 19 4.938 10.850 -11.215 1.00 0.00 H new ATOM 157 N ASP A 20 5.927 7.781 -7.163 1.00 0.00 N ATOM 158 CA ASP A 20 6.858 6.927 -6.437 1.00 0.00 C ATOM 159 C ASP A 20 6.121 5.788 -5.739 1.00 0.00 C ATOM 160 O ASP A 20 6.687 4.721 -5.502 1.00 0.00 O ATOM 161 CB ASP A 20 7.641 7.748 -5.409 1.00 0.00 C ATOM 162 CG ASP A 20 8.674 8.649 -6.056 1.00 0.00 C ATOM 163 OD1 ASP A 20 8.398 9.177 -7.152 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.760 8.826 -5.464 1.00 0.00 O ATOM 0 H ASP A 20 5.654 8.627 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 20 7.555 6.498 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.947 8.355 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.137 7.074 -4.711 1.00 0.00 H new ATOM 169 N VAL A 21 4.854 6.021 -5.415 1.00 0.00 N ATOM 170 CA VAL A 21 4.037 5.015 -4.745 1.00 0.00 C ATOM 171 C VAL A 21 3.690 3.871 -5.692 1.00 0.00 C ATOM 172 O VAL A 21 3.864 2.699 -5.357 1.00 0.00 O ATOM 173 CB VAL A 21 2.735 5.624 -4.194 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.887 4.555 -3.523 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.045 6.755 -3.226 1.00 0.00 C ATOM 0 H VAL A 21 4.370 6.898 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 21 4.628 4.629 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 21 2.165 6.035 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.971 5.005 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.636 3.781 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.446 4.112 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.113 7.174 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.636 6.371 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.608 7.532 -3.743 1.00 0.00 H new ATOM 185 N LYS A 22 3.197 4.219 -6.876 1.00 0.00 N ATOM 186 CA LYS A 22 2.825 3.223 -7.874 1.00 0.00 C ATOM 187 C LYS A 22 3.969 2.244 -8.116 1.00 0.00 C ATOM 188 O LYS A 22 3.764 1.030 -8.157 1.00 0.00 O ATOM 189 CB LYS A 22 2.437 3.906 -9.186 1.00 0.00 C ATOM 190 CG LYS A 22 3.466 4.908 -9.679 1.00 0.00 C ATOM 191 CD LYS A 22 2.962 5.677 -10.888 1.00 0.00 C ATOM 192 CE LYS A 22 4.111 6.142 -11.772 1.00 0.00 C ATOM 193 NZ LYS A 22 3.642 6.526 -13.133 1.00 0.00 N ATOM 0 H LYS A 22 3.046 5.185 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 22 1.968 2.667 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.288 3.145 -9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.482 4.415 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.708 5.606 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.388 4.387 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.288 5.046 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.384 6.540 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.607 6.993 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.852 5.346 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.453 6.837 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.191 5.707 -13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.954 7.302 -13.057 1.00 0.00 H new ATOM 207 N THR A 23 5.176 2.779 -8.278 1.00 0.00 N ATOM 208 CA THR A 23 6.352 1.952 -8.517 1.00 0.00 C ATOM 209 C THR A 23 6.720 1.147 -7.276 1.00 0.00 C ATOM 210 O THR A 23 7.296 0.063 -7.376 1.00 0.00 O ATOM 211 CB THR A 23 7.563 2.808 -8.938 1.00 0.00 C ATOM 212 OG1 THR A 23 7.185 3.713 -9.980 1.00 0.00 O ATOM 213 CG2 THR A 23 8.708 1.926 -9.415 1.00 0.00 C ATOM 0 H THR A 23 5.364 3.781 -8.248 1.00 0.00 H new ATOM 0 HA THR A 23 6.099 1.268 -9.327 1.00 0.00 H new ATOM 0 HB THR A 23 7.899 3.375 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.779 4.513 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.552 2.551 -9.707 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.013 1.258 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.380 1.336 -10.271 1.00 0.00 H new ATOM 221 N LEU A 24 6.384 1.682 -6.109 1.00 0.00 N ATOM 222 CA LEU A 24 6.678 1.012 -4.847 1.00 0.00 C ATOM 223 C LEU A 24 5.775 -0.202 -4.651 1.00 0.00 C ATOM 224 O LEU A 24 6.185 -1.206 -4.066 1.00 0.00 O ATOM 225 CB LEU A 24 6.504 1.984 -3.677 1.00 0.00 C ATOM 226 CG LEU A 24 6.960 1.475 -2.309 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.919 0.539 -1.714 1.00 0.00 C ATOM 228 CD2 LEU A 24 8.307 0.777 -2.421 1.00 0.00 C ATOM 0 H LEU A 24 5.907 2.578 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 24 7.713 0.671 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.054 2.897 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.450 2.255 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 24 7.072 2.331 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.260 0.187 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.975 1.072 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.774 -0.313 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.615 0.422 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.223 -0.069 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.049 1.478 -2.803 1.00 0.00 H new ATOM 240 N LEU A 25 4.547 -0.105 -5.146 1.00 0.00 N ATOM 241 CA LEU A 25 3.585 -1.195 -5.029 1.00 0.00 C ATOM 242 C LEU A 25 3.849 -2.269 -6.079 1.00 0.00 C ATOM 243 O LEU A 25 3.923 -3.457 -5.765 1.00 0.00 O ATOM 244 CB LEU A 25 2.158 -0.663 -5.174 1.00 0.00 C ATOM 245 CG LEU A 25 1.462 -0.251 -3.877 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.217 0.572 -4.178 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.105 -1.477 -3.051 1.00 0.00 C ATOM 0 H LEU A 25 4.193 0.718 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 25 3.699 -1.642 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.179 0.198 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.553 -1.429 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 25 2.150 0.365 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.266 0.857 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.498 1.469 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.474 -0.020 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.610 -1.165 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.435 -2.119 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.013 -2.027 -2.806 1.00 0.00 H new ATOM 259 N LYS A 26 3.992 -1.843 -7.330 1.00 0.00 N ATOM 260 CA LYS A 26 4.251 -2.766 -8.429 1.00 0.00 C ATOM 261 C LYS A 26 5.439 -3.668 -8.113 1.00 0.00 C ATOM 262 O LYS A 26 5.424 -4.860 -8.420 1.00 0.00 O ATOM 263 CB LYS A 26 4.516 -1.990 -9.722 1.00 0.00 C ATOM 264 CG LYS A 26 4.749 -2.882 -10.929 1.00 0.00 C ATOM 265 CD LYS A 26 3.454 -3.167 -11.670 1.00 0.00 C ATOM 266 CE LYS A 26 3.717 -3.617 -13.099 1.00 0.00 C ATOM 267 NZ LYS A 26 2.469 -3.647 -13.910 1.00 0.00 N ATOM 0 H LYS A 26 3.933 -0.863 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 26 3.368 -3.391 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.668 -1.335 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.387 -1.350 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.458 -2.404 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.199 -3.821 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.894 -3.938 -11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.833 -2.271 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.437 -2.944 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.168 -4.609 -13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.691 -3.959 -14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.791 -4.308 -13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.052 -2.695 -13.940 1.00 0.00 H new ATOM 281 N GLU A 27 6.466 -3.093 -7.496 1.00 0.00 N ATOM 282 CA GLU A 27 7.662 -3.847 -7.138 1.00 0.00 C ATOM 283 C GLU A 27 7.360 -4.848 -6.025 1.00 0.00 C ATOM 284 O GLU A 27 7.808 -5.994 -6.070 1.00 0.00 O ATOM 285 CB GLU A 27 8.777 -2.898 -6.695 1.00 0.00 C ATOM 286 CG GLU A 27 9.471 -2.195 -7.850 1.00 0.00 C ATOM 287 CD GLU A 27 10.116 -3.164 -8.820 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.223 -3.658 -8.518 1.00 0.00 O ATOM 289 OE2 GLU A 27 9.514 -3.430 -9.882 1.00 0.00 O ATOM 0 H GLU A 27 6.494 -2.108 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 27 7.992 -4.397 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.359 -2.149 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.517 -3.461 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.747 -1.580 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.232 -1.521 -7.456 1.00 0.00 H new ATOM 296 N TRP A 28 6.600 -4.407 -5.030 1.00 0.00 N ATOM 297 CA TRP A 28 6.239 -5.263 -3.906 1.00 0.00 C ATOM 298 C TRP A 28 5.335 -6.403 -4.360 1.00 0.00 C ATOM 299 O TRP A 28 5.192 -7.409 -3.662 1.00 0.00 O ATOM 300 CB TRP A 28 5.542 -4.444 -2.817 1.00 0.00 C ATOM 301 CG TRP A 28 4.994 -5.283 -1.704 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.663 -6.235 -0.988 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.662 -5.247 -1.179 1.00 0.00 C ATOM 304 NE1 TRP A 28 4.828 -6.792 -0.050 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.595 -6.202 -0.147 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.520 -4.499 -1.479 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.431 -6.429 0.583 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.366 -4.725 -0.754 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.328 -5.682 0.268 1.00 0.00 C ATOM 0 H TRP A 28 6.221 -3.461 -4.978 1.00 0.00 H new ATOM 0 HA TRP A 28 7.155 -5.691 -3.498 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.249 -3.724 -2.405 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.730 -3.873 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.697 -6.509 -1.137 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.084 -7.525 0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.539 -3.757 -2.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.400 -7.168 1.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.478 -4.154 -0.979 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.411 -5.833 0.818 1.00 0.00 H new ATOM 320 N ILE A 29 4.727 -6.241 -5.529 1.00 0.00 N ATOM 321 CA ILE A 29 3.838 -7.259 -6.075 1.00 0.00 C ATOM 322 C ILE A 29 4.576 -8.167 -7.053 1.00 0.00 C ATOM 323 O ILE A 29 4.214 -9.330 -7.233 1.00 0.00 O ATOM 324 CB ILE A 29 2.629 -6.626 -6.789 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.832 -5.755 -5.817 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.743 -7.708 -7.390 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.904 -4.778 -6.503 1.00 0.00 C ATOM 0 H ILE A 29 4.833 -5.414 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 29 3.482 -7.852 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 29 2.994 -5.992 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.247 -6.399 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.526 -5.201 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.893 -7.245 -7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.317 -8.289 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.384 -8.365 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.371 -4.194 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.485 -4.109 -7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.186 -5.326 -7.113 1.00 0.00 H new ATOM 339 N THR A 30 5.614 -7.627 -7.685 1.00 0.00 N ATOM 340 CA THR A 30 6.403 -8.388 -8.645 1.00 0.00 C ATOM 341 C THR A 30 7.569 -9.092 -7.962 1.00 0.00 C ATOM 342 O THR A 30 7.647 -10.321 -7.953 1.00 0.00 O ATOM 343 CB THR A 30 6.950 -7.482 -9.765 1.00 0.00 C ATOM 344 OG1 THR A 30 7.543 -6.307 -9.199 1.00 0.00 O ATOM 345 CG2 THR A 30 5.842 -7.082 -10.727 1.00 0.00 C ATOM 0 H THR A 30 5.927 -6.666 -7.549 1.00 0.00 H new ATOM 0 HA THR A 30 5.738 -9.133 -9.082 1.00 0.00 H new ATOM 0 HB THR A 30 7.706 -8.041 -10.317 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.845 -5.645 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.252 -6.443 -11.509 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.411 -7.976 -11.178 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.067 -6.540 -10.185 1.00 0.00 H new ATOM 353 N THR A 31 8.476 -8.306 -7.388 1.00 0.00 N ATOM 354 CA THR A 31 9.639 -8.855 -6.702 1.00 0.00 C ATOM 355 C THR A 31 9.224 -9.862 -5.635 1.00 0.00 C ATOM 356 O THR A 31 9.779 -10.958 -5.555 1.00 0.00 O ATOM 357 CB THR A 31 10.480 -7.744 -6.045 1.00 0.00 C ATOM 358 OG1 THR A 31 9.786 -7.211 -4.912 1.00 0.00 O ATOM 359 CG2 THR A 31 10.773 -6.630 -7.037 1.00 0.00 C ATOM 0 H THR A 31 8.427 -7.287 -7.385 1.00 0.00 H new ATOM 0 HA THR A 31 10.243 -9.359 -7.457 1.00 0.00 H new ATOM 0 HB THR A 31 11.426 -8.177 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.221 -6.462 -5.197 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.368 -5.857 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.326 -7.034 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.835 -6.199 -7.388 1.00 0.00 H new ATOM 367 N ILE A 32 8.246 -9.483 -4.820 1.00 0.00 N ATOM 368 CA ILE A 32 7.756 -10.354 -3.759 1.00 0.00 C ATOM 369 C ILE A 32 6.518 -11.123 -4.206 1.00 0.00 C ATOM 370 O ILE A 32 5.712 -10.621 -4.992 1.00 0.00 O ATOM 371 CB ILE A 32 7.417 -9.555 -2.486 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.549 -8.580 -2.154 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.166 -10.500 -1.320 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.890 -9.253 -1.964 1.00 0.00 C ATOM 0 H ILE A 32 7.777 -8.579 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 32 8.557 -11.058 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 32 6.508 -8.980 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.631 -7.845 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.293 -8.035 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.928 -9.921 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.331 -11.159 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.059 -11.098 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.645 -8.502 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.825 -9.968 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.168 -9.775 -2.880 1.00 0.00 H new ATOM 386 N SER A 33 6.371 -12.345 -3.702 1.00 0.00 N ATOM 387 CA SER A 33 5.232 -13.185 -4.052 1.00 0.00 C ATOM 388 C SER A 33 4.520 -13.682 -2.798 1.00 0.00 C ATOM 389 O SER A 33 3.292 -13.767 -2.761 1.00 0.00 O ATOM 390 CB SER A 33 5.689 -14.373 -4.899 1.00 0.00 C ATOM 391 OG SER A 33 6.440 -15.293 -4.124 1.00 0.00 O ATOM 0 H SER A 33 7.027 -12.775 -3.050 1.00 0.00 H new ATOM 0 HA SER A 33 4.532 -12.584 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.821 -14.875 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.293 -14.018 -5.734 1.00 0.00 H new ATOM 0 HG SER A 33 6.719 -16.044 -4.688 1.00 0.00 H new ATOM 397 N ASP A 34 5.298 -14.010 -1.773 1.00 0.00 N ATOM 398 CA ASP A 34 4.743 -14.499 -0.516 1.00 0.00 C ATOM 399 C ASP A 34 5.259 -13.678 0.661 1.00 0.00 C ATOM 400 O ASP A 34 6.042 -14.152 1.484 1.00 0.00 O ATOM 401 CB ASP A 34 5.094 -15.973 -0.318 1.00 0.00 C ATOM 402 CG ASP A 34 4.065 -16.706 0.519 1.00 0.00 C ATOM 403 OD1 ASP A 34 3.715 -16.200 1.605 1.00 0.00 O ATOM 404 OD2 ASP A 34 3.609 -17.787 0.089 1.00 0.00 O ATOM 0 H ASP A 34 6.316 -13.946 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 34 3.659 -14.395 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.178 -16.457 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.070 -16.050 0.162 1.00 0.00 H new ATOM 409 N PRO A 35 4.812 -12.416 0.745 1.00 0.00 N ATOM 410 CA PRO A 35 5.216 -11.502 1.818 1.00 0.00 C ATOM 411 C PRO A 35 4.634 -11.902 3.169 1.00 0.00 C ATOM 412 O PRO A 35 3.764 -12.769 3.249 1.00 0.00 O ATOM 413 CB PRO A 35 4.648 -10.154 1.367 1.00 0.00 C ATOM 414 CG PRO A 35 3.497 -10.502 0.487 1.00 0.00 C ATOM 415 CD PRO A 35 3.877 -11.785 -0.201 1.00 0.00 C ATOM 0 HA PRO A 35 6.296 -11.497 1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.328 -9.555 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.395 -9.570 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.584 -10.627 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.307 -9.711 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.007 -12.415 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.347 -11.599 -1.167 1.00 0.00 H new ATOM 423 N MET A 36 5.119 -11.263 4.229 1.00 0.00 N ATOM 424 CA MET A 36 4.645 -11.551 5.578 1.00 0.00 C ATOM 425 C MET A 36 3.611 -10.521 6.022 1.00 0.00 C ATOM 426 O MET A 36 3.389 -9.520 5.342 1.00 0.00 O ATOM 427 CB MET A 36 5.817 -11.572 6.560 1.00 0.00 C ATOM 428 CG MET A 36 6.534 -12.910 6.621 1.00 0.00 C ATOM 429 SD MET A 36 5.571 -14.177 7.469 1.00 0.00 S ATOM 430 CE MET A 36 6.247 -15.664 6.735 1.00 0.00 C ATOM 0 H MET A 36 5.840 -10.543 4.180 1.00 0.00 H new ATOM 0 HA MET A 36 4.172 -12.533 5.568 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.531 -10.799 6.277 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.451 -11.319 7.555 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.756 -13.245 5.608 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.489 -12.783 7.131 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.751 -16.537 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.086 -15.643 5.657 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.316 -15.718 6.941 1.00 0.00 H new ATOM 440 N GLU A 37 2.985 -10.772 7.167 1.00 0.00 N ATOM 441 CA GLU A 37 1.975 -9.867 7.701 1.00 0.00 C ATOM 442 C GLU A 37 2.520 -8.445 7.803 1.00 0.00 C ATOM 443 O GLU A 37 1.783 -7.474 7.628 1.00 0.00 O ATOM 444 CB GLU A 37 1.505 -10.344 9.076 1.00 0.00 C ATOM 445 CG GLU A 37 2.640 -10.597 10.053 1.00 0.00 C ATOM 446 CD GLU A 37 2.152 -11.101 11.398 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.477 -12.151 11.427 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.445 -10.446 12.419 1.00 0.00 O ATOM 0 H GLU A 37 3.160 -11.595 7.743 1.00 0.00 H new ATOM 0 HA GLU A 37 1.127 -9.866 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.832 -9.598 9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.929 -11.262 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.328 -11.326 9.624 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.202 -9.675 10.197 1.00 0.00 H new ATOM 455 N GLU A 38 3.813 -8.331 8.086 1.00 0.00 N ATOM 456 CA GLU A 38 4.456 -7.028 8.214 1.00 0.00 C ATOM 457 C GLU A 38 4.317 -6.226 6.923 1.00 0.00 C ATOM 458 O GLU A 38 4.038 -5.027 6.952 1.00 0.00 O ATOM 459 CB GLU A 38 5.935 -7.196 8.566 1.00 0.00 C ATOM 460 CG GLU A 38 6.704 -8.051 7.572 1.00 0.00 C ATOM 461 CD GLU A 38 7.848 -8.810 8.218 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.661 -9.323 9.341 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.930 -8.890 7.599 1.00 0.00 O ATOM 0 H GLU A 38 4.437 -9.125 8.231 1.00 0.00 H new ATOM 0 HA GLU A 38 3.960 -6.483 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.400 -6.212 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.016 -7.644 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.021 -8.760 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.097 -7.415 6.779 1.00 0.00 H new ATOM 470 N ASP A 39 4.515 -6.895 5.793 1.00 0.00 N ATOM 471 CA ASP A 39 4.412 -6.246 4.492 1.00 0.00 C ATOM 472 C ASP A 39 3.038 -5.608 4.309 1.00 0.00 C ATOM 473 O ASP A 39 2.923 -4.497 3.792 1.00 0.00 O ATOM 474 CB ASP A 39 4.671 -7.255 3.372 1.00 0.00 C ATOM 475 CG ASP A 39 6.138 -7.334 2.992 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.757 -6.267 2.794 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.664 -8.461 2.892 1.00 0.00 O ATOM 0 H ASP A 39 4.748 -7.887 5.752 1.00 0.00 H new ATOM 0 HA ASP A 39 5.167 -5.461 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.327 -8.240 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.086 -6.978 2.495 1.00 0.00 H new ATOM 482 N ILE A 40 2.000 -6.319 4.737 1.00 0.00 N ATOM 483 CA ILE A 40 0.635 -5.823 4.621 1.00 0.00 C ATOM 484 C ILE A 40 0.385 -4.669 5.587 1.00 0.00 C ATOM 485 O ILE A 40 -0.406 -3.768 5.304 1.00 0.00 O ATOM 486 CB ILE A 40 -0.395 -6.936 4.891 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.214 -8.081 3.894 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.808 -6.380 4.818 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.640 -9.213 4.420 1.00 0.00 C ATOM 0 H ILE A 40 2.079 -7.240 5.167 1.00 0.00 H new ATOM 0 HA ILE A 40 0.515 -5.469 3.597 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.232 -7.326 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.194 -8.473 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.238 -7.690 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.524 -7.179 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.929 -5.596 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.985 -5.966 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.725 -9.989 3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.633 -8.836 4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.179 -9.631 5.315 1.00 0.00 H new ATOM 501 N LEU A 41 1.067 -4.701 6.726 1.00 0.00 N ATOM 502 CA LEU A 41 0.922 -3.657 7.734 1.00 0.00 C ATOM 503 C LEU A 41 1.668 -2.393 7.320 1.00 0.00 C ATOM 504 O LEU A 41 1.280 -1.284 7.688 1.00 0.00 O ATOM 505 CB LEU A 41 1.442 -4.150 9.085 1.00 0.00 C ATOM 506 CG LEU A 41 0.615 -5.240 9.767 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.249 -5.644 11.088 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.816 -4.768 9.981 1.00 0.00 C ATOM 0 H LEU A 41 1.726 -5.439 6.975 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.138 -3.418 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.456 -4.525 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.507 -3.296 9.760 1.00 0.00 H new ATOM 0 HG LEU A 41 0.594 -6.114 9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.646 -6.421 11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.254 -6.024 10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.302 -4.777 11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.390 -5.556 10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.815 -3.878 10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.269 -4.531 9.018 1.00 0.00 H new ATOM 520 N GLN A 42 2.736 -2.568 6.550 1.00 0.00 N ATOM 521 CA GLN A 42 3.534 -1.440 6.084 1.00 0.00 C ATOM 522 C GLN A 42 2.750 -0.592 5.089 1.00 0.00 C ATOM 523 O GLN A 42 2.699 0.633 5.205 1.00 0.00 O ATOM 524 CB GLN A 42 4.830 -1.936 5.439 1.00 0.00 C ATOM 525 CG GLN A 42 5.880 -2.377 6.446 1.00 0.00 C ATOM 526 CD GLN A 42 6.208 -1.297 7.458 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.242 -1.550 8.663 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.452 -0.086 6.974 1.00 0.00 N ATOM 0 H GLN A 42 3.069 -3.479 6.235 1.00 0.00 H new ATOM 0 HA GLN A 42 3.779 -0.821 6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.600 -2.771 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.245 -1.142 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.525 -3.265 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.789 -2.661 5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.413 0.079 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.679 0.680 7.608 1.00 0.00 H new ATOM 537 N VAL A 43 2.139 -1.251 4.109 1.00 0.00 N ATOM 538 CA VAL A 43 1.356 -0.558 3.093 1.00 0.00 C ATOM 539 C VAL A 43 0.175 0.179 3.716 1.00 0.00 C ATOM 540 O VAL A 43 -0.225 1.244 3.246 1.00 0.00 O ATOM 541 CB VAL A 43 0.831 -1.536 2.026 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.981 -2.097 1.204 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.033 -2.656 2.675 1.00 0.00 C ATOM 0 H VAL A 43 2.171 -2.264 3.998 1.00 0.00 H new ATOM 0 HA VAL A 43 2.021 0.164 2.619 1.00 0.00 H new ATOM 0 HB VAL A 43 0.168 -0.991 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.591 -2.786 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.506 -1.281 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.672 -2.627 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.330 -3.337 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.671 -3.201 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.815 -2.233 3.215 1.00 0.00 H new ATOM 553 N VAL A 44 -0.379 -0.397 4.779 1.00 0.00 N ATOM 554 CA VAL A 44 -1.514 0.205 5.470 1.00 0.00 C ATOM 555 C VAL A 44 -1.094 1.461 6.225 1.00 0.00 C ATOM 556 O VAL A 44 -1.849 2.431 6.307 1.00 0.00 O ATOM 557 CB VAL A 44 -2.158 -0.784 6.459 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.283 -0.111 7.231 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.667 -2.015 5.724 1.00 0.00 C ATOM 0 H VAL A 44 -0.060 -1.279 5.180 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.245 0.471 4.706 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.399 -1.103 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.726 -0.825 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.885 0.737 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.045 0.238 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.119 -2.704 6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.412 -1.716 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.835 -2.508 5.221 1.00 0.00 H new ATOM 569 N ARG A 45 0.116 1.438 6.776 1.00 0.00 N ATOM 570 CA ARG A 45 0.637 2.575 7.525 1.00 0.00 C ATOM 571 C ARG A 45 0.706 3.820 6.646 1.00 0.00 C ATOM 572 O ARG A 45 0.231 4.890 7.028 1.00 0.00 O ATOM 573 CB ARG A 45 2.024 2.252 8.083 1.00 0.00 C ATOM 574 CG ARG A 45 1.992 1.580 9.446 1.00 0.00 C ATOM 575 CD ARG A 45 1.599 2.560 10.541 1.00 0.00 C ATOM 576 NE ARG A 45 1.127 1.877 11.742 1.00 0.00 N ATOM 577 CZ ARG A 45 1.922 1.201 12.563 1.00 0.00 C ATOM 578 NH1 ARG A 45 3.222 1.116 12.312 1.00 0.00 N ATOM 579 NH2 ARG A 45 1.419 0.606 13.637 1.00 0.00 N ATOM 0 H ARG A 45 0.754 0.644 6.717 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.042 2.775 8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.547 1.604 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.601 3.174 8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.285 0.751 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.972 1.158 9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.456 3.185 10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.818 3.224 10.170 1.00 0.00 H new ATOM 0 HE ARG A 45 0.132 1.922 11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.613 1.571 11.487 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.831 0.596 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.420 0.667 13.833 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.031 0.087 14.266 1.00 0.00 H new ATOM 593 N TYR A 46 1.303 3.673 5.468 1.00 0.00 N ATOM 594 CA TYR A 46 1.438 4.786 4.536 1.00 0.00 C ATOM 595 C TYR A 46 0.079 5.409 4.231 1.00 0.00 C ATOM 596 O TYR A 46 -0.054 6.631 4.157 1.00 0.00 O ATOM 597 CB TYR A 46 2.097 4.315 3.238 1.00 0.00 C ATOM 598 CG TYR A 46 2.064 5.345 2.133 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.784 6.528 2.237 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.309 5.137 0.985 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.757 7.473 1.229 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.276 6.075 -0.028 1.00 0.00 C ATOM 603 CZ TYR A 46 2.001 7.242 0.099 1.00 0.00 C ATOM 604 OH TYR A 46 1.969 8.180 -0.908 1.00 0.00 O ATOM 0 H TYR A 46 1.701 2.794 5.136 1.00 0.00 H new ATOM 0 HA TYR A 46 2.069 5.543 5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.134 4.048 3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.597 3.410 2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.376 6.713 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.738 4.226 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.324 8.387 1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.686 5.896 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 46 2.819 8.668 -0.928 1.00 0.00 H new ATOM 614 N CYS A 47 -0.928 4.560 4.056 1.00 0.00 N ATOM 615 CA CYS A 47 -2.278 5.025 3.758 1.00 0.00 C ATOM 616 C CYS A 47 -2.894 5.719 4.970 1.00 0.00 C ATOM 617 O CYS A 47 -3.354 6.857 4.881 1.00 0.00 O ATOM 618 CB CYS A 47 -3.160 3.854 3.323 1.00 0.00 C ATOM 619 SG CYS A 47 -2.677 3.114 1.746 1.00 0.00 S ATOM 0 H CYS A 47 -0.835 3.546 4.115 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.215 5.745 2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.133 3.086 4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.192 4.197 3.250 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.680 2.302 1.935 1.00 0.00 H new ATOM 625 N THR A 48 -2.899 5.023 6.103 1.00 0.00 N ATOM 626 CA THR A 48 -3.460 5.569 7.331 1.00 0.00 C ATOM 627 C THR A 48 -2.763 6.867 7.725 1.00 0.00 C ATOM 628 O THR A 48 -3.338 7.705 8.421 1.00 0.00 O ATOM 629 CB THR A 48 -3.348 4.566 8.495 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.942 3.317 8.125 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.027 5.107 9.744 1.00 0.00 C ATOM 0 H THR A 48 -2.521 4.080 6.195 1.00 0.00 H new ATOM 0 HA THR A 48 -4.513 5.770 7.135 1.00 0.00 H new ATOM 0 HB THR A 48 -2.291 4.414 8.713 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.344 2.839 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.935 4.381 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.552 6.042 10.040 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.082 5.286 9.536 1.00 0.00 H new ATOM 639 N ASP A 49 -1.523 7.027 7.276 1.00 0.00 N ATOM 640 CA ASP A 49 -0.748 8.224 7.579 1.00 0.00 C ATOM 641 C ASP A 49 -1.187 9.393 6.700 1.00 0.00 C ATOM 642 O ASP A 49 -1.144 10.550 7.121 1.00 0.00 O ATOM 643 CB ASP A 49 0.745 7.955 7.384 1.00 0.00 C ATOM 644 CG ASP A 49 1.376 7.295 8.594 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.626 6.866 9.494 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.621 7.208 8.641 1.00 0.00 O ATOM 0 H ASP A 49 -1.033 6.342 6.701 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.928 8.489 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.886 7.317 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.257 8.895 7.178 1.00 0.00 H new ATOM 651 N LEU A 50 -1.606 9.082 5.479 1.00 0.00 N ATOM 652 CA LEU A 50 -2.051 10.106 4.539 1.00 0.00 C ATOM 653 C LEU A 50 -3.318 10.791 5.041 1.00 0.00 C ATOM 654 O LEU A 50 -3.396 12.019 5.085 1.00 0.00 O ATOM 655 CB LEU A 50 -2.301 9.489 3.162 1.00 0.00 C ATOM 656 CG LEU A 50 -1.055 9.125 2.353 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.407 8.150 1.240 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.407 10.378 1.781 1.00 0.00 C ATOM 0 H LEU A 50 -1.647 8.130 5.116 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.264 10.855 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.901 8.588 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.899 10.187 2.576 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.341 8.641 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.508 7.903 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.826 7.241 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.139 8.607 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.478 10.101 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.116 10.889 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.119 11.043 2.595 1.00 0.00 H new ATOM 670 N ILE A 51 -4.308 9.988 5.419 1.00 0.00 N ATOM 671 CA ILE A 51 -5.570 10.517 5.920 1.00 0.00 C ATOM 672 C ILE A 51 -5.349 11.403 7.141 1.00 0.00 C ATOM 673 O ILE A 51 -6.170 12.267 7.449 1.00 0.00 O ATOM 674 CB ILE A 51 -6.548 9.386 6.290 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.832 8.508 5.070 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.840 9.964 6.848 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.874 7.030 5.386 1.00 0.00 C ATOM 0 H ILE A 51 -4.260 8.970 5.388 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.004 11.112 5.116 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.089 8.766 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.785 8.805 4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.066 8.688 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.521 9.152 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.621 10.550 7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.305 10.605 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.080 6.469 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.913 6.718 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.659 6.836 6.116 1.00 0.00 H new ATOM 689 N GLU A 52 -4.234 11.183 7.832 1.00 0.00 N ATOM 690 CA GLU A 52 -3.905 11.963 9.018 1.00 0.00 C ATOM 691 C GLU A 52 -3.450 13.368 8.637 1.00 0.00 C ATOM 692 O GLU A 52 -3.573 14.306 9.425 1.00 0.00 O ATOM 693 CB GLU A 52 -2.812 11.263 9.829 1.00 0.00 C ATOM 694 CG GLU A 52 -3.221 9.894 10.346 1.00 0.00 C ATOM 695 CD GLU A 52 -3.742 9.940 11.770 1.00 0.00 C ATOM 696 OE1 GLU A 52 -2.924 9.820 12.706 1.00 0.00 O ATOM 697 OE2 GLU A 52 -4.968 10.096 11.947 1.00 0.00 O ATOM 0 H GLU A 52 -3.544 10.471 7.590 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.804 12.045 9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.922 11.157 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.538 11.894 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.990 9.479 9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.365 9.221 10.298 1.00 0.00 H new ATOM 704 N GLU A 53 -2.924 13.505 7.424 1.00 0.00 N ATOM 705 CA GLU A 53 -2.448 14.796 6.939 1.00 0.00 C ATOM 706 C GLU A 53 -3.346 15.322 5.824 1.00 0.00 C ATOM 707 O GLU A 53 -2.993 16.268 5.120 1.00 0.00 O ATOM 708 CB GLU A 53 -1.008 14.678 6.437 1.00 0.00 C ATOM 709 CG GLU A 53 -0.780 13.492 5.514 1.00 0.00 C ATOM 710 CD GLU A 53 0.632 13.445 4.963 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.392 14.407 5.194 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.976 12.443 4.300 1.00 0.00 O ATOM 0 H GLU A 53 -2.817 12.739 6.759 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.478 15.501 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.739 15.594 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.339 14.595 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.985 12.569 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.488 13.539 4.686 1.00 0.00 H new ATOM 719 N LYS A 54 -4.510 14.701 5.667 1.00 0.00 N ATOM 720 CA LYS A 54 -5.461 15.105 4.638 1.00 0.00 C ATOM 721 C LYS A 54 -4.879 14.891 3.244 1.00 0.00 C ATOM 722 O LYS A 54 -5.391 15.422 2.259 1.00 0.00 O ATOM 723 CB LYS A 54 -5.847 16.574 4.821 1.00 0.00 C ATOM 724 CG LYS A 54 -6.165 16.946 6.259 1.00 0.00 C ATOM 725 CD LYS A 54 -7.481 17.696 6.363 1.00 0.00 C ATOM 726 CE LYS A 54 -8.669 16.747 6.335 1.00 0.00 C ATOM 727 NZ LYS A 54 -9.961 17.468 6.500 1.00 0.00 N ATOM 0 H LYS A 54 -4.818 13.915 6.240 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.352 14.486 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.031 17.202 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.714 16.793 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.211 16.043 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.361 17.562 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.499 18.275 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.562 18.406 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.676 16.202 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.562 16.008 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.745 16.785 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.966 17.968 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.076 18.155 5.728 1.00 0.00 H new ATOM 741 N ASP A 55 -3.808 14.108 3.169 1.00 0.00 N ATOM 742 CA ASP A 55 -3.157 13.822 1.896 1.00 0.00 C ATOM 743 C ASP A 55 -3.653 12.502 1.317 1.00 0.00 C ATOM 744 O ASP A 55 -2.917 11.800 0.623 1.00 0.00 O ATOM 745 CB ASP A 55 -1.638 13.777 2.074 1.00 0.00 C ATOM 746 CG ASP A 55 -1.077 15.086 2.593 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.866 16.035 2.787 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.151 15.162 2.807 1.00 0.00 O ATOM 0 H ASP A 55 -3.372 13.660 3.975 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.410 14.621 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.380 12.975 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.170 13.538 1.119 1.00 0.00 H new ATOM 753 N LEU A 56 -4.906 12.167 1.609 1.00 0.00 N ATOM 754 CA LEU A 56 -5.502 10.929 1.119 1.00 0.00 C ATOM 755 C LEU A 56 -5.886 11.055 -0.352 1.00 0.00 C ATOM 756 O LEU A 56 -6.324 10.088 -0.973 1.00 0.00 O ATOM 757 CB LEU A 56 -6.732 10.568 1.950 1.00 0.00 C ATOM 758 CG LEU A 56 -7.623 11.736 2.374 1.00 0.00 C ATOM 759 CD1 LEU A 56 -7.990 12.591 1.171 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.877 11.227 3.071 1.00 0.00 C ATOM 0 H LEU A 56 -5.528 12.736 2.183 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.761 10.135 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.337 9.864 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.399 10.047 2.848 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.067 12.354 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.624 13.417 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.082 12.986 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.527 11.983 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.498 12.073 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.436 10.585 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.595 10.658 3.957 1.00 0.00 H new ATOM 772 N GLU A 57 -5.717 12.253 -0.902 1.00 0.00 N ATOM 773 CA GLU A 57 -6.046 12.504 -2.300 1.00 0.00 C ATOM 774 C GLU A 57 -5.375 11.479 -3.210 1.00 0.00 C ATOM 775 O GLU A 57 -6.031 10.836 -4.029 1.00 0.00 O ATOM 776 CB GLU A 57 -5.617 13.917 -2.702 1.00 0.00 C ATOM 777 CG GLU A 57 -6.431 15.013 -2.036 1.00 0.00 C ATOM 778 CD GLU A 57 -7.763 15.249 -2.721 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.792 15.283 -3.969 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.778 15.399 -2.009 1.00 0.00 O ATOM 0 H GLU A 57 -5.354 13.064 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.126 12.413 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.565 14.054 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.702 14.019 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.605 14.748 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.856 15.939 -2.038 1.00 0.00 H new ATOM 787 N LYS A 58 -4.063 11.334 -3.060 1.00 0.00 N ATOM 788 CA LYS A 58 -3.300 10.386 -3.865 1.00 0.00 C ATOM 789 C LYS A 58 -3.626 8.950 -3.470 1.00 0.00 C ATOM 790 O LYS A 58 -3.570 8.039 -4.298 1.00 0.00 O ATOM 791 CB LYS A 58 -1.800 10.642 -3.707 1.00 0.00 C ATOM 792 CG LYS A 58 -1.348 11.977 -4.274 1.00 0.00 C ATOM 793 CD LYS A 58 -0.076 12.466 -3.603 1.00 0.00 C ATOM 794 CE LYS A 58 -0.193 13.923 -3.180 1.00 0.00 C ATOM 795 NZ LYS A 58 1.138 14.584 -3.093 1.00 0.00 N ATOM 0 H LYS A 58 -3.505 11.861 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.578 10.529 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.542 10.600 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.249 9.842 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.180 11.880 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.138 12.716 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.137 11.849 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.765 12.351 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.819 14.459 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.691 13.981 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.015 15.575 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.727 14.088 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.603 14.551 -4.023 1.00 0.00 H new ATOM 809 N LEU A 59 -3.969 8.753 -2.202 1.00 0.00 N ATOM 810 CA LEU A 59 -4.305 7.427 -1.697 1.00 0.00 C ATOM 811 C LEU A 59 -5.468 6.825 -2.480 1.00 0.00 C ATOM 812 O LEU A 59 -5.373 5.711 -2.994 1.00 0.00 O ATOM 813 CB LEU A 59 -4.660 7.499 -0.210 1.00 0.00 C ATOM 814 CG LEU A 59 -4.329 6.260 0.620 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.892 6.393 2.027 1.00 0.00 C ATOM 816 CD2 LEU A 59 -4.868 5.006 -0.055 1.00 0.00 C ATOM 0 H LEU A 59 -4.022 9.495 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.433 6.786 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.141 8.353 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.728 7.696 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.245 6.174 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.646 5.501 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.459 7.268 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.975 6.505 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.623 4.133 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.950 5.084 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.417 4.902 -1.042 1.00 0.00 H new ATOM 828 N ASP A 60 -6.564 7.571 -2.567 1.00 0.00 N ATOM 829 CA ASP A 60 -7.744 7.112 -3.290 1.00 0.00 C ATOM 830 C ASP A 60 -7.371 6.629 -4.688 1.00 0.00 C ATOM 831 O ASP A 60 -7.998 5.716 -5.229 1.00 0.00 O ATOM 832 CB ASP A 60 -8.779 8.235 -3.384 1.00 0.00 C ATOM 833 CG ASP A 60 -9.806 7.986 -4.471 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.515 8.296 -5.645 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.902 7.483 -4.147 1.00 0.00 O ATOM 0 H ASP A 60 -6.660 8.495 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.175 6.276 -2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.287 8.338 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.270 9.179 -3.578 1.00 0.00 H new ATOM 840 N LEU A 61 -6.349 7.246 -5.269 1.00 0.00 N ATOM 841 CA LEU A 61 -5.893 6.881 -6.605 1.00 0.00 C ATOM 842 C LEU A 61 -5.074 5.593 -6.568 1.00 0.00 C ATOM 843 O LEU A 61 -5.148 4.771 -7.481 1.00 0.00 O ATOM 844 CB LEU A 61 -5.058 8.011 -7.209 1.00 0.00 C ATOM 845 CG LEU A 61 -5.580 9.429 -6.974 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.523 10.456 -7.349 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.859 9.664 -7.765 1.00 0.00 C ATOM 0 H LEU A 61 -5.820 8.002 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.772 6.715 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.048 7.945 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.983 7.846 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.806 9.541 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.912 11.459 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.633 10.301 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.265 10.345 -8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.216 10.678 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.659 9.532 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.619 8.950 -7.448 1.00 0.00 H new ATOM 859 N VAL A 62 -4.296 5.424 -5.504 1.00 0.00 N ATOM 860 CA VAL A 62 -3.466 4.236 -5.344 1.00 0.00 C ATOM 861 C VAL A 62 -4.320 2.974 -5.276 1.00 0.00 C ATOM 862 O VAL A 62 -3.923 1.917 -5.766 1.00 0.00 O ATOM 863 CB VAL A 62 -2.597 4.324 -4.076 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.785 3.050 -3.895 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.686 5.542 -4.137 1.00 0.00 C ATOM 0 H VAL A 62 -4.223 6.095 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.816 4.185 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.255 4.433 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.177 3.131 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.459 2.199 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.136 2.906 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.079 5.588 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.035 5.466 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.291 6.445 -4.214 1.00 0.00 H new ATOM 875 N ILE A 63 -5.494 3.094 -4.666 1.00 0.00 N ATOM 876 CA ILE A 63 -6.404 1.963 -4.535 1.00 0.00 C ATOM 877 C ILE A 63 -6.726 1.355 -5.896 1.00 0.00 C ATOM 878 O ILE A 63 -6.872 0.140 -6.026 1.00 0.00 O ATOM 879 CB ILE A 63 -7.719 2.377 -3.846 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.432 2.993 -2.476 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.646 1.178 -3.711 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.667 2.075 -1.549 1.00 0.00 C ATOM 0 H ILE A 63 -5.837 3.962 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.898 1.220 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.214 3.127 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.864 3.914 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.376 3.267 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.570 1.486 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.873 0.781 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.159 0.407 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.499 2.577 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.242 1.164 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.707 1.821 -1.999 1.00 0.00 H new ATOM 894 N LYS A 64 -6.831 2.208 -6.909 1.00 0.00 N ATOM 895 CA LYS A 64 -7.132 1.756 -8.262 1.00 0.00 C ATOM 896 C LYS A 64 -5.953 0.989 -8.853 1.00 0.00 C ATOM 897 O LYS A 64 -6.133 0.112 -9.699 1.00 0.00 O ATOM 898 CB LYS A 64 -7.475 2.950 -9.156 1.00 0.00 C ATOM 899 CG LYS A 64 -8.603 3.811 -8.614 1.00 0.00 C ATOM 900 CD LYS A 64 -9.533 4.274 -9.723 1.00 0.00 C ATOM 901 CE LYS A 64 -10.553 3.204 -10.078 1.00 0.00 C ATOM 902 NZ LYS A 64 -10.121 2.395 -11.253 1.00 0.00 N ATOM 0 H LYS A 64 -6.712 3.217 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.991 1.087 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.585 3.567 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.751 2.585 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.170 3.246 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.186 4.678 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.050 5.181 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.948 4.528 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.705 2.548 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.513 3.674 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.947 2.177 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.427 2.934 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.687 1.509 -10.924 1.00 0.00 H new ATOM 916 N TYR A 65 -4.749 1.321 -8.400 1.00 0.00 N ATOM 917 CA TYR A 65 -3.541 0.663 -8.885 1.00 0.00 C ATOM 918 C TYR A 65 -3.352 -0.692 -8.210 1.00 0.00 C ATOM 919 O TYR A 65 -2.876 -1.644 -8.828 1.00 0.00 O ATOM 920 CB TYR A 65 -2.318 1.546 -8.634 1.00 0.00 C ATOM 921 CG TYR A 65 -1.197 1.324 -9.624 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.428 1.398 -10.992 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.092 1.042 -9.191 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.407 1.195 -11.900 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.119 0.839 -10.092 1.00 0.00 C ATOM 926 CZ TYR A 65 0.865 0.916 -11.446 1.00 0.00 C ATOM 927 OH TYR A 65 1.885 0.715 -12.346 1.00 0.00 O ATOM 0 H TYR A 65 -4.583 2.042 -7.698 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.650 0.503 -9.958 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.622 2.592 -8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.945 1.358 -7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.422 1.618 -11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.295 0.980 -8.132 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.604 1.254 -12.960 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.116 0.621 -9.738 1.00 0.00 H new ATOM 0 HH TYR A 65 2.717 0.530 -11.862 1.00 0.00 H new ATOM 937 N MET A 66 -3.729 -0.771 -6.938 1.00 0.00 N ATOM 938 CA MET A 66 -3.602 -2.010 -6.180 1.00 0.00 C ATOM 939 C MET A 66 -4.668 -3.016 -6.601 1.00 0.00 C ATOM 940 O MET A 66 -4.371 -4.188 -6.836 1.00 0.00 O ATOM 941 CB MET A 66 -3.714 -1.728 -4.680 1.00 0.00 C ATOM 942 CG MET A 66 -2.416 -1.244 -4.054 1.00 0.00 C ATOM 943 SD MET A 66 -2.423 -1.370 -2.255 1.00 0.00 S ATOM 944 CE MET A 66 -3.387 0.075 -1.818 1.00 0.00 C ATOM 0 H MET A 66 -4.125 0.008 -6.411 1.00 0.00 H new ATOM 0 HA MET A 66 -2.621 -2.437 -6.390 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.488 -0.978 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.037 -2.636 -4.171 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.586 -1.827 -4.452 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.243 -0.207 -4.341 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.044 -0.165 -0.982 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.717 0.886 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.987 0.385 -2.674 1.00 0.00 H new ATOM 954 N LYS A 67 -5.910 -2.553 -6.693 1.00 0.00 N ATOM 955 CA LYS A 67 -7.020 -3.412 -7.087 1.00 0.00 C ATOM 956 C LYS A 67 -6.802 -3.977 -8.486 1.00 0.00 C ATOM 957 O LYS A 67 -7.153 -5.123 -8.765 1.00 0.00 O ATOM 958 CB LYS A 67 -8.336 -2.633 -7.039 1.00 0.00 C ATOM 959 CG LYS A 67 -8.437 -1.545 -8.095 1.00 0.00 C ATOM 960 CD LYS A 67 -9.753 -0.790 -7.993 1.00 0.00 C ATOM 961 CE LYS A 67 -10.924 -1.649 -8.446 1.00 0.00 C ATOM 962 NZ LYS A 67 -12.083 -0.820 -8.879 1.00 0.00 N ATOM 0 H LYS A 67 -6.173 -1.587 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.071 -4.243 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.165 -3.329 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.446 -2.182 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.607 -0.848 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.347 -1.989 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.912 -0.470 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.705 0.112 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.608 -2.290 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.230 -2.305 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.861 -1.441 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.401 -0.227 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.798 -0.212 -9.673 1.00 0.00 H new ATOM 976 N ARG A 68 -6.218 -3.166 -9.362 1.00 0.00 N ATOM 977 CA ARG A 68 -5.952 -3.585 -10.733 1.00 0.00 C ATOM 978 C ARG A 68 -4.692 -4.442 -10.805 1.00 0.00 C ATOM 979 O ARG A 68 -4.533 -5.258 -11.714 1.00 0.00 O ATOM 980 CB ARG A 68 -5.806 -2.364 -11.644 1.00 0.00 C ATOM 981 CG ARG A 68 -4.489 -1.625 -11.463 1.00 0.00 C ATOM 982 CD ARG A 68 -4.365 -0.463 -12.435 1.00 0.00 C ATOM 983 NE ARG A 68 -5.566 0.366 -12.452 1.00 0.00 N ATOM 984 CZ ARG A 68 -5.850 1.230 -13.420 1.00 0.00 C ATOM 985 NH1 ARG A 68 -5.023 1.376 -14.447 1.00 0.00 N ATOM 986 NH2 ARG A 68 -6.963 1.950 -13.364 1.00 0.00 N ATOM 0 H ARG A 68 -5.920 -2.215 -9.147 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.797 -4.184 -11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.895 -2.683 -12.683 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.629 -1.676 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.416 -1.255 -10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.659 -2.316 -11.612 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.506 0.149 -12.161 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.176 -0.847 -13.437 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.224 0.277 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.167 0.824 -14.495 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.244 2.040 -15.189 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.602 1.841 -12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.179 2.613 -14.108 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.798 -4.250 -9.841 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.549 -5.005 -9.795 1.00 0.00 C ATOM 1002 C LEU A 69 -2.779 -6.401 -9.225 1.00 0.00 C ATOM 1003 O LEU A 69 -2.450 -7.403 -9.860 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.512 -4.262 -8.952 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.617 -3.276 -9.706 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.325 -2.569 -8.743 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.168 -3.993 -10.793 1.00 0.00 C ATOM 0 H LEU A 69 -3.914 -3.579 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.175 -5.105 -10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.035 -3.719 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.875 -4.999 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.251 -2.526 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.954 -1.872 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.257 -2.023 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.953 -3.306 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.799 -3.276 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.793 -4.764 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.524 -4.453 -11.498 1.00 0.00 H new ATOM 1019 N MET A 70 -3.345 -6.459 -8.025 1.00 0.00 N ATOM 1020 CA MET A 70 -3.622 -7.733 -7.371 1.00 0.00 C ATOM 1021 C MET A 70 -4.477 -8.627 -8.261 1.00 0.00 C ATOM 1022 O MET A 70 -4.442 -9.851 -8.143 1.00 0.00 O ATOM 1023 CB MET A 70 -4.327 -7.501 -6.032 1.00 0.00 C ATOM 1024 CG MET A 70 -3.370 -7.349 -4.860 1.00 0.00 C ATOM 1025 SD MET A 70 -2.524 -5.757 -4.856 1.00 0.00 S ATOM 1026 CE MET A 70 -2.101 -5.602 -3.123 1.00 0.00 C ATOM 0 H MET A 70 -3.621 -5.639 -7.485 1.00 0.00 H new ATOM 0 HA MET A 70 -2.671 -8.234 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.944 -6.605 -6.106 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.000 -8.336 -5.835 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.922 -7.465 -3.928 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.630 -8.149 -4.894 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.156 -5.068 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.885 -5.049 -2.605 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.005 -6.594 -2.682 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.245 -8.007 -9.151 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.111 -8.748 -10.061 1.00 0.00 C ATOM 1038 C GLN A 71 -5.294 -9.670 -10.960 1.00 0.00 C ATOM 1039 O GLN A 71 -5.661 -10.825 -11.177 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.934 -7.783 -10.915 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.241 -7.359 -10.266 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.365 -8.345 -10.519 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -9.206 -9.549 -10.319 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.510 -7.838 -10.960 1.00 0.00 N ATOM 0 H GLN A 71 -5.285 -6.994 -9.261 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.787 -9.359 -9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.337 -6.895 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.150 -8.254 -11.874 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.091 -7.253 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.530 -6.379 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.598 -6.833 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.302 -8.453 -11.147 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.184 -9.154 -11.478 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.316 -9.932 -12.353 1.00 0.00 C ATOM 1055 C GLN A 72 -2.824 -11.193 -11.651 1.00 0.00 C ATOM 1056 O GLN A 72 -2.448 -12.170 -12.300 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.123 -9.087 -12.804 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.008 -9.008 -11.773 1.00 0.00 C ATOM 1059 CD GLN A 72 0.116 -9.985 -12.054 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.000 -10.852 -12.920 1.00 0.00 O ATOM 1061 NE2 GLN A 72 1.214 -9.851 -11.319 1.00 0.00 N ATOM 0 H GLN A 72 -3.865 -8.200 -11.307 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.895 -10.228 -13.228 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.723 -9.503 -13.729 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.468 -8.078 -13.031 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.607 -7.995 -11.754 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.419 -9.207 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.268 -9.118 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.003 -10.481 -11.462 1.00 0.00 H new ATOM 1070 N SER A 73 -2.829 -11.166 -10.322 1.00 0.00 N ATOM 1071 CA SER A 73 -2.380 -12.306 -9.533 1.00 0.00 C ATOM 1072 C SER A 73 -3.547 -13.230 -9.200 1.00 0.00 C ATOM 1073 O SER A 73 -4.689 -12.787 -9.074 1.00 0.00 O ATOM 1074 CB SER A 73 -1.710 -11.827 -8.243 1.00 0.00 C ATOM 1075 OG SER A 73 -0.324 -11.601 -8.442 1.00 0.00 O ATOM 0 H SER A 73 -3.139 -10.367 -9.769 1.00 0.00 H new ATOM 0 HA SER A 73 -1.655 -12.864 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.186 -10.908 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.852 -12.570 -7.458 1.00 0.00 H new ATOM 0 HG SER A 73 0.081 -11.294 -7.604 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.252 -14.518 -9.056 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.275 -15.506 -8.736 1.00 0.00 C ATOM 1083 C VAL A 74 -4.149 -15.980 -7.293 1.00 0.00 C ATOM 1084 O VAL A 74 -5.115 -16.459 -6.700 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.192 -16.725 -9.675 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.248 -16.283 -11.129 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.926 -17.522 -9.400 1.00 0.00 C ATOM 0 H VAL A 74 -2.312 -14.902 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.240 -15.018 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.050 -17.370 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.188 -17.157 -11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.185 -15.758 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.411 -15.617 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.883 -18.379 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.054 -16.888 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.932 -17.870 -8.367 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.951 -15.843 -6.733 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.699 -16.259 -5.358 1.00 0.00 C ATOM 1099 C GLU A 75 -3.726 -15.649 -4.409 1.00 0.00 C ATOM 1100 O GLU A 75 -4.066 -14.471 -4.518 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.287 -15.852 -4.929 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.209 -16.259 -5.920 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.316 -17.714 -6.333 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.681 -18.548 -5.478 1.00 0.00 O ATOM 1105 OE2 GLU A 75 -0.035 -18.020 -7.511 1.00 0.00 O ATOM 0 H GLU A 75 -2.141 -15.448 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.786 -17.345 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.255 -14.771 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.067 -16.301 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.278 -15.628 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.771 -16.082 -5.478 1.00 0.00 H new ATOM 1112 N SER A 76 -4.218 -16.461 -3.478 1.00 0.00 N ATOM 1113 CA SER A 76 -5.209 -16.005 -2.511 1.00 0.00 C ATOM 1114 C SER A 76 -4.596 -15.008 -1.532 1.00 0.00 C ATOM 1115 O SER A 76 -5.280 -14.125 -1.016 1.00 0.00 O ATOM 1116 CB SER A 76 -5.793 -17.194 -1.747 1.00 0.00 C ATOM 1117 OG SER A 76 -6.348 -18.148 -2.635 1.00 0.00 O ATOM 0 H SER A 76 -3.946 -17.438 -3.373 1.00 0.00 H new ATOM 0 HA SER A 76 -6.009 -15.505 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.014 -17.662 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.561 -16.845 -1.057 1.00 0.00 H new ATOM 0 HG SER A 76 -6.713 -18.899 -2.122 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.298 -15.157 -1.281 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.590 -14.272 -0.365 1.00 0.00 C ATOM 1125 C VAL A 77 -2.704 -12.817 -0.810 1.00 0.00 C ATOM 1126 O VAL A 77 -2.869 -11.918 0.014 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.101 -14.649 -0.259 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.453 -14.662 -1.635 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.374 -13.690 0.672 1.00 0.00 C ATOM 0 H VAL A 77 -2.716 -15.883 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.057 -14.389 0.613 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.028 -15.653 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.599 -14.931 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.958 -15.392 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.535 -13.673 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.677 -13.971 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.455 -12.675 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.822 -13.736 1.664 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.617 -12.595 -2.116 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.711 -11.249 -2.670 1.00 0.00 C ATOM 1141 C TRP A 78 -4.154 -10.757 -2.663 1.00 0.00 C ATOM 1142 O TRP A 78 -4.432 -9.631 -2.253 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.156 -11.223 -4.096 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.660 -11.159 -4.150 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.182 -12.104 -4.664 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.171 -10.095 -3.672 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.486 -11.691 -4.534 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.506 -10.462 -3.929 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.083 -8.868 -3.054 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.581 -9.646 -3.588 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.984 -8.060 -2.715 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.303 -8.450 -2.984 1.00 0.00 C ATOM 0 H TRP A 78 -2.482 -13.329 -2.811 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.117 -10.582 -2.044 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.494 -12.114 -4.626 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.569 -10.363 -4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.131 -13.038 -5.107 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.307 -12.215 -4.839 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.096 -8.557 -2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.598 -9.946 -3.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.799 -7.111 -2.234 1.00 0.00 H new ATOM 0 HH2 TRP A 78 3.116 -7.794 -2.709 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.067 -11.608 -3.119 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.482 -11.259 -3.165 1.00 0.00 C ATOM 1165 C ASN A 79 -7.002 -10.910 -1.773 1.00 0.00 C ATOM 1166 O ASN A 79 -7.626 -9.867 -1.576 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.296 -12.414 -3.749 1.00 0.00 C ATOM 1168 CG ASN A 79 -7.146 -12.523 -5.254 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.750 -11.757 -6.006 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.339 -13.477 -5.702 1.00 0.00 N ATOM 0 H ASN A 79 -4.852 -12.544 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.593 -10.384 -3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.979 -13.349 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.348 -12.276 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.200 -13.598 -6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.858 -14.089 -5.043 1.00 0.00 H new ATOM 1177 N MET A 80 -6.738 -11.787 -0.812 1.00 0.00 N ATOM 1178 CA MET A 80 -7.177 -11.571 0.562 1.00 0.00 C ATOM 1179 C MET A 80 -6.485 -10.355 1.170 1.00 0.00 C ATOM 1180 O MET A 80 -7.111 -9.554 1.861 1.00 0.00 O ATOM 1181 CB MET A 80 -6.894 -12.812 1.412 1.00 0.00 C ATOM 1182 CG MET A 80 -7.733 -14.018 1.025 1.00 0.00 C ATOM 1183 SD MET A 80 -7.892 -15.213 2.366 1.00 0.00 S ATOM 1184 CE MET A 80 -9.517 -15.886 2.029 1.00 0.00 C ATOM 0 H MET A 80 -6.222 -12.655 -0.958 1.00 0.00 H new ATOM 0 HA MET A 80 -8.251 -11.386 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.839 -13.070 1.323 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.077 -12.574 2.460 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.725 -13.683 0.722 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.284 -14.506 0.160 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.760 -16.642 2.776 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.257 -15.087 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.525 -16.340 1.038 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.189 -10.225 0.906 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.412 -9.106 1.424 1.00 0.00 C ATOM 1196 C ALA A 81 -5.063 -7.774 1.067 1.00 0.00 C ATOM 1197 O ALA A 81 -5.290 -6.930 1.935 1.00 0.00 O ATOM 1198 CB ALA A 81 -2.988 -9.160 0.892 1.00 0.00 C ATOM 0 H ALA A 81 -4.655 -10.881 0.336 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.384 -9.187 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.420 -8.318 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.518 -10.093 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.004 -9.108 -0.197 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.359 -7.591 -0.214 1.00 0.00 N ATOM 1205 CA PHE A 82 -5.983 -6.360 -0.686 1.00 0.00 C ATOM 1206 C PHE A 82 -7.296 -6.098 0.047 1.00 0.00 C ATOM 1207 O PHE A 82 -7.571 -4.975 0.467 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.234 -6.435 -2.194 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.073 -5.306 -2.720 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.712 -3.989 -2.483 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.222 -5.560 -3.451 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.482 -2.948 -2.964 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.995 -4.522 -3.936 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.624 -3.215 -3.693 1.00 0.00 C ATOM 0 H PHE A 82 -5.177 -8.279 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.301 -5.535 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.276 -6.438 -2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.725 -7.380 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.818 -3.774 -1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.517 -6.581 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.191 -1.926 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.889 -4.733 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.226 -2.402 -4.072 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.101 -7.144 0.195 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.384 -7.030 0.878 1.00 0.00 C ATOM 1226 C ASP A 83 -9.207 -6.437 2.272 1.00 0.00 C ATOM 1227 O ASP A 83 -9.994 -5.594 2.704 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.059 -8.399 0.974 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.558 -8.294 1.173 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.190 -7.467 0.484 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.099 -9.037 2.018 1.00 0.00 O ATOM 0 H ASP A 83 -7.888 -8.080 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.019 -6.361 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.855 -8.966 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.624 -8.958 1.803 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.171 -6.884 2.972 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.892 -6.400 4.319 1.00 0.00 C ATOM 1238 C PHE A 84 -7.288 -4.999 4.280 1.00 0.00 C ATOM 1239 O PHE A 84 -7.726 -4.102 5.000 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.941 -7.357 5.042 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.486 -6.852 6.382 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.372 -6.036 6.488 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.175 -7.195 7.535 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -4.952 -5.571 7.720 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -6.760 -6.733 8.769 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.647 -5.919 8.862 1.00 0.00 C ATOM 0 H PHE A 84 -7.510 -7.581 2.629 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.835 -6.355 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.437 -8.318 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.068 -7.533 4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.826 -5.760 5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.046 -7.830 7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.081 -4.936 7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.305 -7.008 9.660 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.321 -5.556 9.825 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.279 -4.821 3.433 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.616 -3.529 3.298 1.00 0.00 C ATOM 1258 C ILE A 85 -6.618 -2.429 2.965 1.00 0.00 C ATOM 1259 O ILE A 85 -6.728 -1.436 3.686 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.529 -3.566 2.208 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.470 -4.617 2.547 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.891 -2.194 2.049 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.848 -5.263 1.329 1.00 0.00 C ATOM 0 H ILE A 85 -5.903 -5.554 2.831 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.149 -3.312 4.258 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.994 -3.840 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.685 -4.151 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.923 -5.391 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.125 -2.237 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.654 -1.469 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.437 -1.892 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.107 -5.997 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.623 -5.759 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.365 -4.500 0.719 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.346 -2.611 1.869 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.342 -1.634 1.441 1.00 0.00 C ATOM 1277 C LEU A 86 -9.413 -1.444 2.509 1.00 0.00 C ATOM 1278 O LEU A 86 -9.970 -0.356 2.657 1.00 0.00 O ATOM 1279 CB LEU A 86 -8.988 -2.079 0.127 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.116 -3.103 0.248 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.459 -2.405 0.392 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.122 -4.033 -0.958 1.00 0.00 C ATOM 0 H LEU A 86 -7.266 -3.426 1.260 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.837 -0.680 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.378 -1.197 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.211 -2.497 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.944 -3.701 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.249 -3.151 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.451 -1.781 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.641 -1.782 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.931 -4.756 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.269 -3.449 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.170 -4.560 -1.016 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.695 -2.507 3.254 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.697 -2.457 4.311 1.00 0.00 C ATOM 1296 C ASP A 87 -10.202 -1.623 5.490 1.00 0.00 C ATOM 1297 O ASP A 87 -10.991 -0.995 6.193 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.046 -3.871 4.781 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.733 -3.878 6.132 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.854 -3.337 6.232 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.149 -4.425 7.092 1.00 0.00 O ATOM 0 H ASP A 87 -9.243 -3.415 3.145 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.593 -1.986 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.694 -4.346 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.135 -4.468 4.836 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.889 -1.626 5.699 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.289 -0.871 6.793 1.00 0.00 C ATOM 1308 C ASN A 88 -8.276 0.622 6.482 1.00 0.00 C ATOM 1309 O ASN A 88 -8.595 1.448 7.337 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.864 -1.361 7.056 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.818 -2.502 8.054 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -6.039 -2.478 9.006 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.657 -3.509 7.839 1.00 0.00 N ATOM 0 H ASN A 88 -8.221 -2.142 5.126 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.893 -1.032 7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.416 -1.685 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.261 -0.533 7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.673 -4.305 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.286 -3.486 7.036 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.906 0.961 5.251 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.853 2.355 4.826 1.00 0.00 C ATOM 1322 C VAL A 89 -9.254 2.929 4.652 1.00 0.00 C ATOM 1323 O VAL A 89 -9.474 4.125 4.843 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.080 2.509 3.503 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.684 1.916 3.629 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.843 1.858 2.360 1.00 0.00 C ATOM 0 H VAL A 89 -7.639 0.290 4.531 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.332 2.906 5.609 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.980 3.572 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.152 2.034 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.139 2.433 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.759 0.856 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.281 1.977 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.977 0.797 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.819 2.333 2.257 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.201 2.070 4.287 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.581 2.493 4.087 1.00 0.00 C ATOM 1338 C GLN A 90 -12.291 2.683 5.424 1.00 0.00 C ATOM 1339 O GLN A 90 -13.168 3.538 5.557 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.334 1.466 3.238 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.979 1.521 1.761 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.652 2.674 1.042 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.722 2.515 0.455 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.026 3.845 1.086 1.00 0.00 N ATOM 0 H GLN A 90 -10.037 1.077 4.124 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.569 3.449 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.121 0.467 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.406 1.628 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.898 1.612 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.268 0.583 1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.140 3.931 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.431 4.658 0.621 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.907 1.881 6.412 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.506 1.962 7.738 1.00 0.00 C ATOM 1355 C VAL A 91 -11.970 3.162 8.511 1.00 0.00 C ATOM 1356 O VAL A 91 -12.735 3.930 9.094 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.243 0.681 8.552 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.490 0.929 10.033 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.110 -0.461 8.043 1.00 0.00 C ATOM 0 H VAL A 91 -11.184 1.168 6.319 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.580 2.077 7.594 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.198 0.399 8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.299 0.013 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.823 1.715 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.525 1.237 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.911 -1.358 8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.161 -0.190 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.879 -0.654 6.995 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.650 3.316 8.511 1.00 0.00 N ATOM 1370 CA VAL A 92 -10.010 4.424 9.212 1.00 0.00 C ATOM 1371 C VAL A 92 -10.604 5.761 8.784 1.00 0.00 C ATOM 1372 O VAL A 92 -10.880 6.625 9.616 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.492 4.445 8.960 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.197 4.454 7.467 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.854 5.644 9.645 1.00 0.00 C ATOM 0 H VAL A 92 -10.003 2.688 8.034 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.192 4.273 10.276 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.059 3.540 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.119 4.469 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.619 3.560 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.642 5.340 7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.781 5.642 9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.290 6.562 9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.033 5.588 10.719 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.798 5.925 7.479 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.360 7.158 6.939 1.00 0.00 C ATOM 1387 C LEU A 93 -12.858 7.241 7.215 1.00 0.00 C ATOM 1388 O LEU A 93 -13.421 8.331 7.306 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.103 7.241 5.433 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.198 6.669 4.532 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.234 7.734 4.209 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.595 6.103 3.255 1.00 0.00 C ATOM 0 H LEU A 93 -10.574 5.220 6.776 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.871 7.998 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.952 8.287 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.171 6.719 5.215 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.695 5.859 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.005 7.308 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.688 8.092 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.752 8.566 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.388 5.700 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.072 6.894 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.892 5.309 3.506 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.495 6.083 7.351 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.926 6.025 7.620 1.00 0.00 C ATOM 1406 C GLN A 94 -15.241 6.555 9.014 1.00 0.00 C ATOM 1407 O GLN A 94 -16.354 7.006 9.281 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.435 4.589 7.480 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.836 4.384 8.035 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.352 2.976 7.810 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.487 2.781 7.373 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.520 1.986 8.109 1.00 0.00 N ATOM 0 H GLN A 94 -13.042 5.172 7.279 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.433 6.656 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.426 4.310 6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.748 3.917 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.835 4.600 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.516 5.095 7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.588 2.194 8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.812 1.017 7.979 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.252 6.499 9.901 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.424 6.973 11.269 1.00 0.00 C ATOM 1423 C GLN A 95 -14.306 8.492 11.338 1.00 0.00 C ATOM 1424 O GLN A 95 -14.986 9.144 12.131 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.387 6.327 12.189 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.346 4.810 12.091 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.949 4.152 13.397 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.801 3.813 14.220 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.650 3.965 13.595 1.00 0.00 N ATOM 0 H GLN A 95 -13.323 6.130 9.696 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.422 6.689 11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.401 6.725 11.947 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.601 6.610 13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.326 4.443 11.787 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.641 4.519 11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.978 4.261 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.323 3.525 14.455 1.00 0.00 H new ATOM 1438 N THR A 96 -13.438 9.052 10.500 1.00 0.00 N ATOM 1439 CA THR A 96 -13.230 10.494 10.467 1.00 0.00 C ATOM 1440 C THR A 96 -14.230 11.172 9.538 1.00 0.00 C ATOM 1441 O THR A 96 -14.641 12.308 9.776 1.00 0.00 O ATOM 1442 CB THR A 96 -11.802 10.845 10.009 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.532 12.228 10.263 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.620 10.551 8.528 1.00 0.00 C ATOM 0 H THR A 96 -12.868 8.528 9.836 1.00 0.00 H new ATOM 0 HA THR A 96 -13.378 10.858 11.484 1.00 0.00 H new ATOM 0 HB THR A 96 -11.102 10.229 10.573 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.622 12.443 9.970 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.604 10.807 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.797 9.491 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.329 11.143 7.950 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.618 10.469 8.479 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.569 11.005 7.513 1.00 0.00 C ATOM 1454 C TYR A 97 -16.986 10.526 7.820 1.00 0.00 C ATOM 1455 O TYR A 97 -17.910 11.327 7.950 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.175 10.591 6.095 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.025 11.394 5.527 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.221 12.685 5.053 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.743 10.861 5.467 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.175 13.421 4.533 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.691 11.590 4.950 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.911 12.869 4.483 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.866 13.600 3.968 1.00 0.00 O ATOM 0 H TYR A 97 -14.288 9.527 8.268 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.549 12.092 7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.905 9.535 6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.040 10.698 5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.209 13.120 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.567 9.860 5.831 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.345 14.423 4.167 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.701 11.161 4.911 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.112 13.578 4.593 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.146 9.211 7.934 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.451 8.647 8.225 1.00 0.00 C ATOM 1475 C GLY A 98 -18.891 7.638 7.183 1.00 0.00 C ATOM 1476 O GLY A 98 -19.788 6.830 7.430 1.00 0.00 O ATOM 0 H GLY A 98 -16.396 8.527 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.426 8.167 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.186 9.450 8.282 1.00 0.00 H new ATOM 1480 N SER A 99 -18.261 7.683 6.014 1.00 0.00 N ATOM 1481 CA SER A 99 -18.597 6.769 4.928 1.00 0.00 C ATOM 1482 C SER A 99 -17.335 6.205 4.282 1.00 0.00 C ATOM 1483 O SER A 99 -16.221 6.450 4.749 1.00 0.00 O ATOM 1484 CB SER A 99 -19.446 7.484 3.875 1.00 0.00 C ATOM 1485 OG SER A 99 -20.678 7.919 4.424 1.00 0.00 O ATOM 0 H SER A 99 -17.515 8.343 5.794 1.00 0.00 H new ATOM 0 HA SER A 99 -19.171 5.942 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.898 8.339 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.634 6.812 3.037 1.00 0.00 H new ATOM 0 HG SER A 99 -21.202 8.374 3.732 1.00 0.00 H new ATOM 1491 N THR A 100 -17.516 5.448 3.205 1.00 0.00 N ATOM 1492 CA THR A 100 -16.394 4.848 2.495 1.00 0.00 C ATOM 1493 C THR A 100 -16.519 5.058 0.990 1.00 0.00 C ATOM 1494 O THR A 100 -17.512 5.608 0.510 1.00 0.00 O ATOM 1495 CB THR A 100 -16.288 3.339 2.783 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.406 2.652 2.209 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.240 3.076 4.281 1.00 0.00 C ATOM 0 H THR A 100 -18.430 5.236 2.805 1.00 0.00 H new ATOM 0 HA THR A 100 -15.492 5.344 2.855 1.00 0.00 H new ATOM 0 HB THR A 100 -15.365 2.970 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.331 1.693 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.165 2.003 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.373 3.577 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.148 3.459 4.747 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.508 4.618 0.250 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.505 4.757 -1.202 1.00 0.00 C ATOM 1507 C LEU A 101 -16.015 3.486 -1.873 1.00 0.00 C ATOM 1508 O LEU A 101 -15.970 2.402 -1.290 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.095 5.080 -1.701 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.410 6.279 -1.043 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.911 6.241 -1.298 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.007 7.582 -1.554 1.00 0.00 C ATOM 0 H LEU A 101 -14.679 4.162 0.631 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.174 5.577 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.468 4.201 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.143 5.258 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.577 6.224 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.439 7.101 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.494 5.323 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.724 6.271 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.507 8.424 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.871 7.646 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.071 7.611 -1.320 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.498 3.623 -3.102 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.014 2.486 -3.854 1.00 0.00 C ATOM 1526 C LYS A 102 -15.914 1.849 -4.698 1.00 0.00 C ATOM 1527 O LYS A 102 -15.154 2.544 -5.373 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.172 2.926 -4.754 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.886 1.770 -5.433 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.432 0.779 -4.419 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.188 -0.353 -5.097 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.892 -1.220 -4.111 1.00 0.00 N ATOM 0 H LYS A 102 -16.543 4.512 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.377 1.745 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.892 3.487 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.791 3.605 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.703 2.154 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.197 1.260 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.611 0.369 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.094 1.295 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.913 0.063 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.492 -0.957 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.395 -1.979 -4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.198 -1.637 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.575 -0.650 -3.572 1.00 0.00 H new