USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 88 MET CE :methyl 146:sc= -0.0506 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -2.23! K(o=-2.3!,f=-1.4) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.68 K(o=-4.1,f=-5.6!) USER MOD Set 2.2: A 115 TYR OH : rot -165:sc= -2.42! USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.253 (180deg=-1.11) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 26 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.21) USER MOD Single : A 33 SER OG : rot -95:sc=0.000831 USER MOD Single : A 39 TYR OH : rot -140:sc= -1.23 USER MOD Single : A 43 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.24) USER MOD Single : A 44 HIS : no HD1:sc= -0.342 K(o=-0.34,f=-0.96) USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= -1.39! (180deg=-3.51!) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -0.9 (180deg=-2.78!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 131:sc= -0.32 (180deg=-3.19!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 44:sc= 0.827 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 89 GLN : amide:sc= -6.69! C(o=-6.7!,f=-3.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 147:sc= 0.178 (180deg=-0.07) USER MOD Single : A 106 ASN : amide:sc= -7.38! C(o=-7.4!,f=-11!) USER MOD Single : A 110 LYS NZ :NH3+ -158:sc=-0.00815 (180deg=-0.67) USER MOD Single : A 120 THR OG1 : rot 78:sc= 0.251! USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -11.468 10.553 0.948 1.00 0.00 N ATOM 157 CA GLU A 11 -10.631 11.577 1.635 1.00 0.00 C ATOM 158 C GLU A 11 -9.562 10.879 2.478 1.00 0.00 C ATOM 159 O GLU A 11 -8.494 11.411 2.711 1.00 0.00 O ATOM 160 CB GLU A 11 -11.518 12.435 2.541 1.00 0.00 C ATOM 161 CG GLU A 11 -10.714 13.628 3.063 1.00 0.00 C ATOM 162 CD GLU A 11 -11.113 14.889 2.292 1.00 0.00 C ATOM 163 OE1 GLU A 11 -12.236 15.332 2.460 1.00 0.00 O ATOM 164 OE2 GLU A 11 -10.286 15.389 1.546 1.00 0.00 O ATOM 0 HA GLU A 11 -10.149 12.212 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.390 12.785 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.888 11.839 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.899 13.766 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.647 13.440 2.946 1.00 0.00 H new ATOM 171 N GLU A 12 -9.841 9.692 2.940 1.00 0.00 N ATOM 172 CA GLU A 12 -8.844 8.958 3.770 1.00 0.00 C ATOM 173 C GLU A 12 -7.634 8.586 2.911 1.00 0.00 C ATOM 174 O GLU A 12 -6.500 8.778 3.303 1.00 0.00 O ATOM 175 CB GLU A 12 -9.482 7.683 4.324 1.00 0.00 C ATOM 176 CG GLU A 12 -10.839 8.017 4.950 1.00 0.00 C ATOM 177 CD GLU A 12 -10.631 8.547 6.368 1.00 0.00 C ATOM 178 OE1 GLU A 12 -10.297 7.754 7.234 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.808 9.738 6.566 1.00 0.00 O ATOM 0 H GLU A 12 -10.718 9.197 2.778 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.522 9.595 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.609 6.951 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.828 7.231 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.357 8.761 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.470 7.128 4.972 1.00 0.00 H new ATOM 186 N LEU A 13 -7.866 8.051 1.744 1.00 0.00 N ATOM 187 CA LEU A 13 -6.730 7.661 0.862 1.00 0.00 C ATOM 188 C LEU A 13 -5.954 8.908 0.434 1.00 0.00 C ATOM 189 O LEU A 13 -4.790 8.838 0.093 1.00 0.00 O ATOM 190 CB LEU A 13 -7.272 6.951 -0.381 1.00 0.00 C ATOM 191 CG LEU A 13 -8.382 5.981 0.025 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.775 5.126 -1.179 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.881 5.075 1.152 1.00 0.00 C ATOM 0 H LEU A 13 -8.794 7.867 1.363 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.065 6.992 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.657 7.683 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.469 6.411 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.249 6.544 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.566 4.434 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.131 5.771 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.908 4.563 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.672 4.383 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.014 4.511 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.599 5.684 2.011 1.00 0.00 H new ATOM 205 N ILE A 14 -6.587 10.049 0.446 1.00 0.00 N ATOM 206 CA ILE A 14 -5.878 11.295 0.035 1.00 0.00 C ATOM 207 C ILE A 14 -4.878 11.700 1.120 1.00 0.00 C ATOM 208 O ILE A 14 -3.738 12.014 0.839 1.00 0.00 O ATOM 209 CB ILE A 14 -6.898 12.417 -0.174 1.00 0.00 C ATOM 210 CG1 ILE A 14 -7.443 12.345 -1.602 1.00 0.00 C ATOM 211 CG2 ILE A 14 -6.222 13.772 0.044 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.786 13.074 -1.676 1.00 0.00 C ATOM 0 H ILE A 14 -7.561 10.173 0.722 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.342 11.117 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.716 12.302 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.734 12.797 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.565 11.305 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.950 14.570 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.830 13.824 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.404 13.889 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.173 13.022 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.494 12.603 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.650 14.118 -1.393 1.00 0.00 H new ATOM 224 N GLU A 15 -5.290 11.695 2.357 1.00 0.00 N ATOM 225 CA GLU A 15 -4.358 12.081 3.454 1.00 0.00 C ATOM 226 C GLU A 15 -3.185 11.097 3.497 1.00 0.00 C ATOM 227 O GLU A 15 -2.033 11.484 3.444 1.00 0.00 O ATOM 228 CB GLU A 15 -5.104 12.046 4.790 1.00 0.00 C ATOM 229 CG GLU A 15 -4.530 13.114 5.723 1.00 0.00 C ATOM 230 CD GLU A 15 -5.254 14.442 5.488 1.00 0.00 C ATOM 231 OE1 GLU A 15 -6.473 14.449 5.558 1.00 0.00 O ATOM 232 OE2 GLU A 15 -4.580 15.427 5.244 1.00 0.00 O ATOM 0 H GLU A 15 -6.231 11.440 2.656 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.980 13.088 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.168 12.222 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.009 11.061 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.645 12.804 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.462 13.233 5.542 1.00 0.00 H new ATOM 239 N ILE A 16 -3.469 9.826 3.592 1.00 0.00 N ATOM 240 CA ILE A 16 -2.371 8.820 3.636 1.00 0.00 C ATOM 241 C ILE A 16 -1.532 8.923 2.361 1.00 0.00 C ATOM 242 O ILE A 16 -0.356 9.223 2.404 1.00 0.00 O ATOM 243 CB ILE A 16 -2.967 7.416 3.744 1.00 0.00 C ATOM 244 CG1 ILE A 16 -4.000 7.390 4.875 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.856 6.411 4.048 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.781 6.075 4.823 1.00 0.00 C ATOM 0 H ILE A 16 -4.413 9.442 3.641 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.738 9.012 4.503 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.448 7.151 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.502 7.492 5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.682 8.235 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.282 5.410 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.118 6.431 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.375 6.674 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.516 6.056 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.291 5.993 3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.093 5.238 4.941 1.00 0.00 H new ATOM 258 N GLN A 17 -2.128 8.678 1.225 1.00 0.00 N ATOM 259 CA GLN A 17 -1.361 8.765 -0.051 1.00 0.00 C ATOM 260 C GLN A 17 -0.344 9.905 0.046 1.00 0.00 C ATOM 261 O GLN A 17 0.816 9.743 -0.277 1.00 0.00 O ATOM 262 CB GLN A 17 -2.322 9.036 -1.210 1.00 0.00 C ATOM 263 CG GLN A 17 -1.556 8.982 -2.534 1.00 0.00 C ATOM 264 CD GLN A 17 -1.344 7.523 -2.942 1.00 0.00 C ATOM 265 OE1 GLN A 17 -0.893 6.717 -2.151 1.00 0.00 O ATOM 266 NE2 GLN A 17 -1.653 7.146 -4.153 1.00 0.00 N ATOM 0 H GLN A 17 -3.110 8.422 1.125 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.840 7.824 -0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.124 8.298 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.789 10.013 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.111 9.510 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.595 9.485 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.031 7.822 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.516 6.176 -4.436 1.00 0.00 H new ATOM 275 N LYS A 18 -0.769 11.055 0.494 1.00 0.00 N ATOM 276 CA LYS A 18 0.178 12.198 0.616 1.00 0.00 C ATOM 277 C LYS A 18 1.391 11.760 1.438 1.00 0.00 C ATOM 278 O LYS A 18 2.516 11.820 0.985 1.00 0.00 O ATOM 279 CB LYS A 18 -0.519 13.368 1.315 1.00 0.00 C ATOM 280 CG LYS A 18 -0.707 14.518 0.323 1.00 0.00 C ATOM 281 CD LYS A 18 -1.758 14.126 -0.718 1.00 0.00 C ATOM 282 CE LYS A 18 -2.439 15.386 -1.253 1.00 0.00 C ATOM 283 NZ LYS A 18 -1.441 16.490 -1.342 1.00 0.00 N ATOM 0 H LYS A 18 -1.728 11.252 0.780 1.00 0.00 H new ATOM 0 HA LYS A 18 0.502 12.513 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.485 13.049 1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.074 13.702 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.020 15.420 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.239 14.748 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.289 13.578 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.498 13.461 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.870 15.191 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.260 15.675 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.787 17.219 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.303 16.910 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.536 16.113 -1.689 1.00 0.00 H new ATOM 297 N GLU A 19 1.169 11.311 2.644 1.00 0.00 N ATOM 298 CA GLU A 19 2.310 10.862 3.490 1.00 0.00 C ATOM 299 C GLU A 19 3.194 9.916 2.678 1.00 0.00 C ATOM 300 O GLU A 19 4.406 10.003 2.705 1.00 0.00 O ATOM 301 CB GLU A 19 1.777 10.128 4.722 1.00 0.00 C ATOM 302 CG GLU A 19 0.929 11.087 5.561 1.00 0.00 C ATOM 303 CD GLU A 19 0.906 10.611 7.014 1.00 0.00 C ATOM 304 OE1 GLU A 19 0.461 9.498 7.246 1.00 0.00 O ATOM 305 OE2 GLU A 19 1.333 11.366 7.872 1.00 0.00 O ATOM 0 H GLU A 19 0.249 11.236 3.078 1.00 0.00 H new ATOM 0 HA GLU A 19 2.891 11.727 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.179 9.269 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.606 9.744 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.338 12.096 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.086 11.132 5.166 1.00 0.00 H new ATOM 312 N GLU A 20 2.596 9.013 1.950 1.00 0.00 N ATOM 313 CA GLU A 20 3.397 8.060 1.131 1.00 0.00 C ATOM 314 C GLU A 20 4.261 8.844 0.142 1.00 0.00 C ATOM 315 O GLU A 20 5.460 8.666 0.071 1.00 0.00 O ATOM 316 CB GLU A 20 2.452 7.137 0.359 1.00 0.00 C ATOM 317 CG GLU A 20 2.275 5.826 1.125 1.00 0.00 C ATOM 318 CD GLU A 20 3.501 4.938 0.907 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.540 5.474 0.558 1.00 0.00 O ATOM 320 OE2 GLU A 20 3.379 3.738 1.092 1.00 0.00 O ATOM 0 H GLU A 20 1.585 8.894 1.887 1.00 0.00 H new ATOM 0 HA GLU A 20 4.037 7.465 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.486 7.622 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.853 6.938 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.144 6.028 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.376 5.312 0.785 1.00 0.00 H new ATOM 327 N THR A 21 3.657 9.709 -0.627 1.00 0.00 N ATOM 328 CA THR A 21 4.440 10.504 -1.615 1.00 0.00 C ATOM 329 C THR A 21 5.566 11.253 -0.899 1.00 0.00 C ATOM 330 O THR A 21 6.733 11.025 -1.148 1.00 0.00 O ATOM 331 CB THR A 21 3.515 11.511 -2.304 1.00 0.00 C ATOM 332 OG1 THR A 21 2.212 10.956 -2.412 1.00 0.00 O ATOM 333 CG2 THR A 21 4.054 11.830 -3.699 1.00 0.00 C ATOM 0 H THR A 21 2.655 9.899 -0.614 1.00 0.00 H new ATOM 0 HA THR A 21 4.870 9.833 -2.359 1.00 0.00 H new ATOM 0 HB THR A 21 3.472 12.428 -1.716 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.618 11.600 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.395 12.547 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.054 12.256 -3.614 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.098 10.915 -4.290 1.00 0.00 H new ATOM 341 N ARG A 22 5.225 12.148 -0.011 1.00 0.00 N ATOM 342 CA ARG A 22 6.276 12.914 0.717 1.00 0.00 C ATOM 343 C ARG A 22 7.406 11.971 1.138 1.00 0.00 C ATOM 344 O ARG A 22 8.568 12.323 1.096 1.00 0.00 O ATOM 345 CB ARG A 22 5.663 13.562 1.960 1.00 0.00 C ATOM 346 CG ARG A 22 4.589 14.565 1.538 1.00 0.00 C ATOM 347 CD ARG A 22 4.594 15.755 2.500 1.00 0.00 C ATOM 348 NE ARG A 22 4.651 15.258 3.903 1.00 0.00 N ATOM 349 CZ ARG A 22 4.960 16.075 4.873 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.220 17.327 4.613 1.00 0.00 N ATOM 351 NH2 ARG A 22 5.011 15.639 6.102 1.00 0.00 N ATOM 0 H ARG A 22 4.265 12.381 0.241 1.00 0.00 H new ATOM 0 HA ARG A 22 6.678 13.687 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.228 12.798 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.437 14.065 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.775 14.906 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.609 14.087 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.450 16.398 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.699 16.359 2.353 1.00 0.00 H new ATOM 0 HE ARG A 22 4.449 14.279 4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.182 17.667 3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.461 17.966 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.809 14.660 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.252 16.277 6.860 1.00 0.00 H new ATOM 365 N ASP A 23 7.075 10.778 1.549 1.00 0.00 N ATOM 366 CA ASP A 23 8.130 9.817 1.977 1.00 0.00 C ATOM 367 C ASP A 23 9.077 9.532 0.808 1.00 0.00 C ATOM 368 O ASP A 23 10.284 9.594 0.947 1.00 0.00 O ATOM 369 CB ASP A 23 7.475 8.511 2.432 1.00 0.00 C ATOM 370 CG ASP A 23 8.534 7.593 3.044 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.297 8.068 3.867 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.564 6.429 2.677 1.00 0.00 O ATOM 0 H ASP A 23 6.119 10.427 1.607 1.00 0.00 H new ATOM 0 HA ASP A 23 8.697 10.249 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.694 8.719 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.997 8.018 1.586 1.00 0.00 H new ATOM 377 N ILE A 24 8.544 9.216 -0.339 1.00 0.00 N ATOM 378 CA ILE A 24 9.417 8.923 -1.513 1.00 0.00 C ATOM 379 C ILE A 24 10.172 10.190 -1.925 1.00 0.00 C ATOM 380 O ILE A 24 11.387 10.224 -1.936 1.00 0.00 O ATOM 381 CB ILE A 24 8.556 8.442 -2.680 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.766 7.203 -2.253 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.454 8.087 -3.866 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.557 7.027 -3.172 1.00 0.00 C ATOM 0 H ILE A 24 7.542 9.148 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 24 10.134 8.147 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 24 7.865 9.233 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.402 6.319 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.438 7.306 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.839 7.744 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.019 8.968 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.145 7.296 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.994 6.144 -2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.917 7.907 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.897 6.904 -4.200 1.00 0.00 H new ATOM 396 N ILE A 25 9.464 11.229 -2.271 1.00 0.00 N ATOM 397 CA ILE A 25 10.142 12.490 -2.690 1.00 0.00 C ATOM 398 C ILE A 25 11.305 12.790 -1.741 1.00 0.00 C ATOM 399 O ILE A 25 12.283 13.402 -2.120 1.00 0.00 O ATOM 400 CB ILE A 25 9.139 13.645 -2.648 1.00 0.00 C ATOM 401 CG1 ILE A 25 7.833 13.209 -3.315 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.715 14.852 -3.395 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.144 12.534 -4.654 1.00 0.00 C ATOM 0 H ILE A 25 8.445 11.260 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 25 10.525 12.375 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 25 8.945 13.920 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.293 12.520 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.187 14.072 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.000 15.674 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.646 15.163 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.910 14.579 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.214 12.223 -5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.666 13.237 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.774 11.661 -4.484 1.00 0.00 H new ATOM 415 N GLN A 26 11.207 12.368 -0.510 1.00 0.00 N ATOM 416 CA GLN A 26 12.308 12.635 0.457 1.00 0.00 C ATOM 417 C GLN A 26 13.461 11.660 0.204 1.00 0.00 C ATOM 418 O GLN A 26 14.599 12.058 0.047 1.00 0.00 O ATOM 419 CB GLN A 26 11.789 12.452 1.884 1.00 0.00 C ATOM 420 CG GLN A 26 11.012 13.700 2.308 1.00 0.00 C ATOM 421 CD GLN A 26 11.993 14.836 2.607 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.824 14.721 3.486 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.932 15.937 1.908 1.00 0.00 N ATOM 0 H GLN A 26 10.413 11.851 -0.133 1.00 0.00 H new ATOM 0 HA GLN A 26 12.664 13.657 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.145 11.574 1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.622 12.280 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.324 13.999 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.410 13.484 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.235 16.035 1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.582 16.700 2.100 1.00 0.00 H new ATOM 432 N ALA A 27 13.177 10.387 0.163 1.00 0.00 N ATOM 433 CA ALA A 27 14.258 9.390 -0.079 1.00 0.00 C ATOM 434 C ALA A 27 14.905 9.660 -1.440 1.00 0.00 C ATOM 435 O ALA A 27 16.086 9.447 -1.630 1.00 0.00 O ATOM 436 CB ALA A 27 13.663 7.981 -0.069 1.00 0.00 C ATOM 0 H ALA A 27 12.244 9.994 0.287 1.00 0.00 H new ATOM 0 HA ALA A 27 15.011 9.473 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.453 7.251 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.201 7.788 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.910 7.898 -0.853 1.00 0.00 H new ATOM 442 N LEU A 28 14.141 10.127 -2.387 1.00 0.00 N ATOM 443 CA LEU A 28 14.711 10.410 -3.734 1.00 0.00 C ATOM 444 C LEU A 28 15.667 11.602 -3.644 1.00 0.00 C ATOM 445 O LEU A 28 16.755 11.577 -4.183 1.00 0.00 O ATOM 446 CB LEU A 28 13.578 10.733 -4.710 1.00 0.00 C ATOM 447 CG LEU A 28 13.140 9.453 -5.424 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.858 9.722 -6.212 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.245 8.999 -6.383 1.00 0.00 C ATOM 0 H LEU A 28 13.145 10.325 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 28 15.256 9.536 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.735 11.170 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.911 11.473 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 28 12.956 8.671 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.546 8.810 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.072 10.044 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.041 10.504 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.933 8.087 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.431 9.780 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.158 8.806 -5.820 1.00 0.00 H new ATOM 461 N LEU A 29 15.271 12.646 -2.967 1.00 0.00 N ATOM 462 CA LEU A 29 16.162 13.833 -2.845 1.00 0.00 C ATOM 463 C LEU A 29 17.377 13.468 -1.991 1.00 0.00 C ATOM 464 O LEU A 29 18.509 13.657 -2.393 1.00 0.00 O ATOM 465 CB LEU A 29 15.400 14.981 -2.177 1.00 0.00 C ATOM 466 CG LEU A 29 14.988 16.010 -3.233 1.00 0.00 C ATOM 467 CD1 LEU A 29 16.216 16.802 -3.688 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.366 15.289 -4.432 1.00 0.00 C ATOM 0 H LEU A 29 14.371 12.727 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 29 16.490 14.144 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.517 14.596 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.025 15.453 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 29 14.258 16.697 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.919 17.533 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.654 17.317 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.951 16.120 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.072 16.021 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.094 14.600 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.488 14.732 -4.106 1.00 0.00 H new ATOM 480 N GLU A 30 17.153 12.945 -0.817 1.00 0.00 N ATOM 481 CA GLU A 30 18.297 12.566 0.059 1.00 0.00 C ATOM 482 C GLU A 30 19.310 11.755 -0.751 1.00 0.00 C ATOM 483 O GLU A 30 20.502 11.972 -0.668 1.00 0.00 O ATOM 484 CB GLU A 30 17.787 11.721 1.227 1.00 0.00 C ATOM 485 CG GLU A 30 17.160 12.633 2.283 1.00 0.00 C ATOM 486 CD GLU A 30 16.338 11.793 3.260 1.00 0.00 C ATOM 487 OE1 GLU A 30 16.934 11.167 4.121 1.00 0.00 O ATOM 488 OE2 GLU A 30 15.124 11.789 3.132 1.00 0.00 O ATOM 0 H GLU A 30 16.228 12.764 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 30 18.775 13.467 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.052 10.998 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.608 11.152 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.939 13.175 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.525 13.378 1.804 1.00 0.00 H new ATOM 495 N ASP A 31 18.844 10.821 -1.536 1.00 0.00 N ATOM 496 CA ASP A 31 19.781 9.999 -2.350 1.00 0.00 C ATOM 497 C ASP A 31 20.692 10.920 -3.163 1.00 0.00 C ATOM 498 O ASP A 31 21.849 10.625 -3.388 1.00 0.00 O ATOM 499 CB ASP A 31 18.981 9.106 -3.301 1.00 0.00 C ATOM 500 CG ASP A 31 18.697 7.763 -2.627 1.00 0.00 C ATOM 501 OD1 ASP A 31 18.693 7.723 -1.408 1.00 0.00 O ATOM 502 OD2 ASP A 31 18.488 6.796 -3.342 1.00 0.00 O ATOM 0 H ASP A 31 17.856 10.593 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 31 20.387 9.378 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.045 9.593 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.538 8.950 -4.225 1.00 0.00 H new ATOM 507 N GLY A 32 20.177 12.034 -3.609 1.00 0.00 N ATOM 508 CA GLY A 32 21.012 12.973 -4.411 1.00 0.00 C ATOM 509 C GLY A 32 20.525 12.974 -5.860 1.00 0.00 C ATOM 510 O GLY A 32 21.246 13.338 -6.767 1.00 0.00 O ATOM 0 H GLY A 32 19.215 12.334 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.951 13.978 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.059 12.674 -4.368 1.00 0.00 H new ATOM 514 N SER A 33 19.305 12.566 -6.084 1.00 0.00 N ATOM 515 CA SER A 33 18.770 12.540 -7.474 1.00 0.00 C ATOM 516 C SER A 33 19.054 13.878 -8.160 1.00 0.00 C ATOM 517 O SER A 33 19.425 14.846 -7.526 1.00 0.00 O ATOM 518 CB SER A 33 17.260 12.301 -7.432 1.00 0.00 C ATOM 519 OG SER A 33 16.625 13.421 -6.828 1.00 0.00 O ATOM 0 H SER A 33 18.656 12.250 -5.364 1.00 0.00 H new ATOM 0 HA SER A 33 19.253 11.738 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.876 12.150 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.039 11.395 -6.868 1.00 0.00 H new ATOM 0 HG SER A 33 16.494 13.247 -5.873 1.00 0.00 H new ATOM 525 N ASP A 34 18.880 13.939 -9.451 1.00 0.00 N ATOM 526 CA ASP A 34 19.136 15.213 -10.181 1.00 0.00 C ATOM 527 C ASP A 34 17.902 15.579 -11.009 1.00 0.00 C ATOM 528 O ASP A 34 17.870 15.390 -12.208 1.00 0.00 O ATOM 529 CB ASP A 34 20.341 15.036 -11.106 1.00 0.00 C ATOM 530 CG ASP A 34 21.548 15.768 -10.517 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.552 16.988 -10.554 1.00 0.00 O ATOM 532 OD2 ASP A 34 22.448 15.097 -10.037 1.00 0.00 O ATOM 0 H ASP A 34 18.571 13.161 -10.033 1.00 0.00 H new ATOM 0 HA ASP A 34 19.343 16.010 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 34 20.568 13.977 -11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.113 15.428 -12.097 1.00 0.00 H new ATOM 537 N PRO A 35 16.894 16.093 -10.361 1.00 0.00 N ATOM 538 CA PRO A 35 15.621 16.496 -11.029 1.00 0.00 C ATOM 539 C PRO A 35 15.858 17.453 -12.201 1.00 0.00 C ATOM 540 O PRO A 35 15.040 17.573 -13.092 1.00 0.00 O ATOM 541 CB PRO A 35 14.824 17.194 -9.923 1.00 0.00 C ATOM 542 CG PRO A 35 15.403 16.704 -8.636 1.00 0.00 C ATOM 543 CD PRO A 35 16.862 16.350 -8.915 1.00 0.00 C ATOM 0 HA PRO A 35 15.105 15.637 -11.457 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.910 18.278 -10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.763 16.952 -9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.332 17.470 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.857 15.834 -8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.531 17.166 -8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.176 15.475 -8.347 1.00 0.00 H new ATOM 551 N ASP A 36 16.971 18.136 -12.207 1.00 0.00 N ATOM 552 CA ASP A 36 17.258 19.085 -13.319 1.00 0.00 C ATOM 553 C ASP A 36 17.039 18.385 -14.662 1.00 0.00 C ATOM 554 O ASP A 36 16.916 19.020 -15.691 1.00 0.00 O ATOM 555 CB ASP A 36 18.711 19.561 -13.222 1.00 0.00 C ATOM 556 CG ASP A 36 19.653 18.383 -13.477 1.00 0.00 C ATOM 557 OD1 ASP A 36 19.826 17.582 -12.573 1.00 0.00 O ATOM 558 OD2 ASP A 36 20.187 18.304 -14.571 1.00 0.00 O ATOM 0 H ASP A 36 17.694 18.077 -11.489 1.00 0.00 H new ATOM 0 HA ASP A 36 16.588 19.942 -13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.895 20.351 -13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.901 19.985 -12.236 1.00 0.00 H new ATOM 563 N ALA A 37 16.989 17.081 -14.663 1.00 0.00 N ATOM 564 CA ALA A 37 16.777 16.346 -15.943 1.00 0.00 C ATOM 565 C ALA A 37 15.279 16.122 -16.162 1.00 0.00 C ATOM 566 O ALA A 37 14.559 17.018 -16.555 1.00 0.00 O ATOM 567 CB ALA A 37 17.491 14.995 -15.878 1.00 0.00 C ATOM 0 H ALA A 37 17.086 16.493 -13.835 1.00 0.00 H new ATOM 0 HA ALA A 37 17.180 16.931 -16.769 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.337 14.457 -16.813 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.558 15.154 -15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 37 17.088 14.410 -15.052 1.00 0.00 H new ATOM 573 N LEU A 38 14.806 14.931 -15.914 1.00 0.00 N ATOM 574 CA LEU A 38 13.356 14.650 -16.110 1.00 0.00 C ATOM 575 C LEU A 38 12.943 13.470 -15.226 1.00 0.00 C ATOM 576 O LEU A 38 13.771 12.718 -14.753 1.00 0.00 O ATOM 577 CB LEU A 38 13.100 14.303 -17.578 1.00 0.00 C ATOM 578 CG LEU A 38 11.669 14.689 -17.955 1.00 0.00 C ATOM 579 CD1 LEU A 38 11.623 16.171 -18.333 1.00 0.00 C ATOM 580 CD2 LEU A 38 11.212 13.844 -19.147 1.00 0.00 C ATOM 0 H LEU A 38 15.361 14.141 -15.584 1.00 0.00 H new ATOM 0 HA LEU A 38 12.773 15.530 -15.837 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.810 14.830 -18.216 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.255 13.237 -17.742 1.00 0.00 H new ATOM 0 HG LEU A 38 11.008 14.510 -17.107 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.603 16.446 -18.602 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.950 16.773 -17.485 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.283 16.351 -19.182 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.192 14.118 -19.417 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.873 14.024 -19.995 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.245 12.788 -18.879 1.00 0.00 H new ATOM 592 N TYR A 39 11.668 13.302 -15.000 1.00 0.00 N ATOM 593 CA TYR A 39 11.208 12.170 -14.147 1.00 0.00 C ATOM 594 C TYR A 39 9.921 11.579 -14.729 1.00 0.00 C ATOM 595 O TYR A 39 9.041 12.294 -15.167 1.00 0.00 O ATOM 596 CB TYR A 39 10.942 12.676 -12.727 1.00 0.00 C ATOM 597 CG TYR A 39 12.070 12.246 -11.820 1.00 0.00 C ATOM 598 CD1 TYR A 39 13.289 12.936 -11.842 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.898 11.157 -10.959 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.334 12.535 -11.001 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.942 10.756 -10.119 1.00 0.00 C ATOM 602 CZ TYR A 39 14.161 11.445 -10.140 1.00 0.00 C ATOM 603 OH TYR A 39 15.191 11.050 -9.312 1.00 0.00 O ATOM 0 H TYR A 39 10.927 13.898 -15.368 1.00 0.00 H new ATOM 0 HA TYR A 39 11.979 11.400 -14.120 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.855 13.763 -12.727 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.995 12.280 -12.360 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.423 13.776 -12.507 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.958 10.625 -10.943 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.274 13.067 -11.017 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.808 9.915 -9.454 1.00 0.00 H new ATOM 0 HH TYR A 39 15.228 10.071 -9.280 1.00 0.00 H new ATOM 613 N GLU A 40 9.807 10.279 -14.740 1.00 0.00 N ATOM 614 CA GLU A 40 8.580 9.643 -15.296 1.00 0.00 C ATOM 615 C GLU A 40 7.752 9.044 -14.155 1.00 0.00 C ATOM 616 O GLU A 40 8.283 8.506 -13.205 1.00 0.00 O ATOM 617 CB GLU A 40 8.979 8.536 -16.273 1.00 0.00 C ATOM 618 CG GLU A 40 9.912 7.548 -15.570 1.00 0.00 C ATOM 619 CD GLU A 40 10.884 6.949 -16.588 1.00 0.00 C ATOM 620 OE1 GLU A 40 11.274 7.664 -17.496 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.219 5.785 -16.444 1.00 0.00 O ATOM 0 H GLU A 40 10.511 9.630 -14.388 1.00 0.00 H new ATOM 0 HA GLU A 40 7.987 10.393 -15.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.091 8.019 -16.636 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.475 8.966 -17.143 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.465 8.054 -14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.331 6.756 -15.097 1.00 0.00 H new ATOM 628 N ILE A 41 6.453 9.133 -14.247 1.00 0.00 N ATOM 629 CA ILE A 41 5.586 8.570 -13.173 1.00 0.00 C ATOM 630 C ILE A 41 4.581 7.599 -13.795 1.00 0.00 C ATOM 631 O ILE A 41 4.272 7.680 -14.967 1.00 0.00 O ATOM 632 CB ILE A 41 4.834 9.706 -12.476 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.838 10.690 -11.866 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.949 9.130 -11.367 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.482 11.523 -12.976 1.00 0.00 C ATOM 0 H ILE A 41 5.954 9.572 -15.021 1.00 0.00 H new ATOM 0 HA ILE A 41 6.201 8.043 -12.444 1.00 0.00 H new ATOM 0 HB ILE A 41 4.213 10.227 -13.205 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.335 11.343 -11.153 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.605 10.147 -11.314 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.414 9.940 -10.871 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.232 8.432 -11.799 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.571 8.607 -10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.195 12.222 -12.539 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.000 10.863 -13.672 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.710 12.078 -13.509 1.00 0.00 H new ATOM 647 N GLU A 42 4.065 6.680 -13.023 1.00 0.00 N ATOM 648 CA GLU A 42 3.082 5.710 -13.581 1.00 0.00 C ATOM 649 C GLU A 42 1.966 5.464 -12.562 1.00 0.00 C ATOM 650 O GLU A 42 2.213 5.268 -11.389 1.00 0.00 O ATOM 651 CB GLU A 42 3.789 4.389 -13.891 1.00 0.00 C ATOM 652 CG GLU A 42 5.300 4.568 -13.727 1.00 0.00 C ATOM 653 CD GLU A 42 6.003 3.241 -14.017 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.489 2.483 -14.823 1.00 0.00 O ATOM 655 OE2 GLU A 42 7.046 3.006 -13.428 1.00 0.00 O ATOM 0 H GLU A 42 4.282 6.560 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 42 2.652 6.117 -14.496 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.430 3.607 -13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.558 4.070 -14.907 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.662 5.340 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.530 4.901 -12.715 1.00 0.00 H new ATOM 662 N HIS A 43 0.739 5.467 -13.006 1.00 0.00 N ATOM 663 CA HIS A 43 -0.395 5.227 -12.071 1.00 0.00 C ATOM 664 C HIS A 43 -1.164 3.986 -12.525 1.00 0.00 C ATOM 665 O HIS A 43 -1.441 3.811 -13.695 1.00 0.00 O ATOM 666 CB HIS A 43 -1.329 6.440 -12.079 1.00 0.00 C ATOM 667 CG HIS A 43 -0.515 7.702 -12.004 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.195 8.306 -10.795 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.051 8.488 -12.977 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.534 9.404 -11.070 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.710 9.558 -12.383 1.00 0.00 N ATOM 0 H HIS A 43 0.473 5.626 -13.978 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.013 5.073 -11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.935 6.439 -12.985 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.017 6.388 -11.235 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.007 8.303 -14.040 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.927 10.076 -10.321 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.221 10.305 -12.853 1.00 0.00 H new ATOM 679 N HIS A 44 -1.507 3.120 -11.612 1.00 0.00 N ATOM 680 CA HIS A 44 -2.252 1.889 -12.001 1.00 0.00 C ATOM 681 C HIS A 44 -3.718 2.017 -11.584 1.00 0.00 C ATOM 682 O HIS A 44 -4.029 2.469 -10.499 1.00 0.00 O ATOM 683 CB HIS A 44 -1.629 0.676 -11.310 1.00 0.00 C ATOM 684 CG HIS A 44 -0.249 0.443 -11.859 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.791 1.338 -11.648 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.280 -0.575 -12.614 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.882 0.847 -12.264 1.00 0.00 C ATOM 688 NE2 HIS A 44 1.622 -0.315 -12.866 1.00 0.00 N ATOM 0 H HIS A 44 -1.305 3.211 -10.616 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.196 1.762 -13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.581 0.842 -10.234 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.250 -0.206 -11.470 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.263 -1.443 -12.958 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.847 1.332 -12.270 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.272 -0.892 -13.400 1.00 0.00 H new ATOM 696 N LEU A 45 -4.619 1.617 -12.437 1.00 0.00 N ATOM 697 CA LEU A 45 -6.066 1.708 -12.095 1.00 0.00 C ATOM 698 C LEU A 45 -6.790 0.472 -12.636 1.00 0.00 C ATOM 699 O LEU A 45 -6.690 0.143 -13.802 1.00 0.00 O ATOM 700 CB LEU A 45 -6.666 2.968 -12.728 1.00 0.00 C ATOM 701 CG LEU A 45 -6.248 4.204 -11.926 1.00 0.00 C ATOM 702 CD1 LEU A 45 -5.084 4.902 -12.632 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.433 5.167 -11.825 1.00 0.00 C ATOM 0 H LEU A 45 -4.415 1.230 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.182 1.758 -11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.329 3.063 -13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.753 2.891 -12.753 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.936 3.901 -10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.787 5.782 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.240 4.216 -12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.395 5.206 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.138 6.048 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.742 5.469 -12.825 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.263 4.671 -11.323 1.00 0.00 H new ATOM 715 N PHE A 46 -7.516 -0.217 -11.799 1.00 0.00 N ATOM 716 CA PHE A 46 -8.240 -1.431 -12.269 1.00 0.00 C ATOM 717 C PHE A 46 -9.741 -1.144 -12.316 1.00 0.00 C ATOM 718 O PHE A 46 -10.231 -0.231 -11.681 1.00 0.00 O ATOM 719 CB PHE A 46 -7.970 -2.597 -11.313 1.00 0.00 C ATOM 720 CG PHE A 46 -7.208 -2.098 -10.108 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.970 -1.466 -10.274 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.739 -2.270 -8.824 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.264 -1.006 -9.157 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.033 -1.809 -7.706 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.795 -1.177 -7.873 1.00 0.00 C ATOM 0 H PHE A 46 -7.639 0.008 -10.812 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.889 -1.696 -13.266 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.911 -3.049 -10.999 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.398 -3.373 -11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.560 -1.333 -11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.694 -2.758 -8.696 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.309 -0.519 -9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.443 -1.941 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.250 -0.821 -7.011 1.00 0.00 H new ATOM 735 N ALA A 47 -10.476 -1.918 -13.067 1.00 0.00 N ATOM 736 CA ALA A 47 -11.946 -1.690 -13.158 1.00 0.00 C ATOM 737 C ALA A 47 -12.678 -3.031 -13.090 1.00 0.00 C ATOM 738 O ALA A 47 -12.085 -4.082 -13.240 1.00 0.00 O ATOM 739 CB ALA A 47 -12.272 -1.001 -14.485 1.00 0.00 C ATOM 0 H ALA A 47 -10.122 -2.698 -13.621 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.267 -1.059 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.347 -0.833 -14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.752 -0.045 -14.536 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.950 -1.634 -15.312 1.00 0.00 H new ATOM 745 N GLU A 48 -13.964 -3.006 -12.867 1.00 0.00 N ATOM 746 CA GLU A 48 -14.733 -4.279 -12.794 1.00 0.00 C ATOM 747 C GLU A 48 -15.547 -4.453 -14.077 1.00 0.00 C ATOM 748 O GLU A 48 -15.909 -5.551 -14.450 1.00 0.00 O ATOM 749 CB GLU A 48 -15.679 -4.234 -11.592 1.00 0.00 C ATOM 750 CG GLU A 48 -14.862 -4.231 -10.298 1.00 0.00 C ATOM 751 CD GLU A 48 -15.725 -4.759 -9.150 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.911 -4.948 -9.365 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.185 -4.964 -8.075 1.00 0.00 O ATOM 0 H GLU A 48 -14.515 -2.158 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.044 -5.116 -12.683 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.305 -3.343 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.348 -5.094 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.973 -4.852 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.518 -3.221 -10.074 1.00 0.00 H new ATOM 760 N ASP A 49 -15.835 -3.377 -14.757 1.00 0.00 N ATOM 761 CA ASP A 49 -16.624 -3.478 -16.018 1.00 0.00 C ATOM 762 C ASP A 49 -15.751 -3.043 -17.196 1.00 0.00 C ATOM 763 O ASP A 49 -15.327 -1.907 -17.279 1.00 0.00 O ATOM 764 CB ASP A 49 -17.849 -2.565 -15.930 1.00 0.00 C ATOM 765 CG ASP A 49 -18.472 -2.671 -14.537 1.00 0.00 C ATOM 766 OD1 ASP A 49 -17.743 -2.962 -13.603 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.668 -2.458 -14.428 1.00 0.00 O ATOM 0 H ASP A 49 -15.558 -2.431 -14.494 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.949 -4.508 -16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.561 -1.533 -16.133 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.580 -2.847 -16.688 1.00 0.00 H new ATOM 772 N PHE A 50 -15.476 -3.935 -18.108 1.00 0.00 N ATOM 773 CA PHE A 50 -14.630 -3.566 -19.278 1.00 0.00 C ATOM 774 C PHE A 50 -15.071 -2.202 -19.813 1.00 0.00 C ATOM 775 O PHE A 50 -14.261 -1.389 -20.214 1.00 0.00 O ATOM 776 CB PHE A 50 -14.786 -4.621 -20.375 1.00 0.00 C ATOM 777 CG PHE A 50 -16.201 -5.145 -20.375 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.546 -6.229 -19.558 1.00 0.00 C ATOM 779 CD2 PHE A 50 -17.170 -4.549 -21.191 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.858 -6.717 -19.558 1.00 0.00 C ATOM 781 CE2 PHE A 50 -18.482 -5.036 -21.192 1.00 0.00 C ATOM 782 CZ PHE A 50 -18.827 -6.120 -20.375 1.00 0.00 C ATOM 0 H PHE A 50 -15.800 -4.902 -18.094 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.585 -3.516 -18.971 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.548 -4.188 -21.347 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -14.085 -5.439 -20.210 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -15.799 -6.689 -18.928 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -16.905 -3.712 -21.820 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.123 -7.553 -18.928 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -19.228 -4.576 -21.823 1.00 0.00 H new ATOM 0 HZ PHE A 50 -19.840 -6.496 -20.375 1.00 0.00 H new ATOM 792 N ASP A 51 -16.350 -1.942 -19.818 1.00 0.00 N ATOM 793 CA ASP A 51 -16.842 -0.631 -20.325 1.00 0.00 C ATOM 794 C ASP A 51 -16.292 0.491 -19.441 1.00 0.00 C ATOM 795 O ASP A 51 -15.417 1.233 -19.839 1.00 0.00 O ATOM 796 CB ASP A 51 -18.372 -0.612 -20.284 1.00 0.00 C ATOM 797 CG ASP A 51 -18.902 -2.047 -20.331 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.610 -2.796 -19.413 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.588 -2.373 -21.285 1.00 0.00 O ATOM 0 H ASP A 51 -17.075 -2.581 -19.493 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.505 -0.484 -21.351 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.716 -0.116 -19.377 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.762 -0.041 -21.127 1.00 0.00 H new ATOM 804 N LYS A 52 -16.796 0.618 -18.244 1.00 0.00 N ATOM 805 CA LYS A 52 -16.298 1.689 -17.337 1.00 0.00 C ATOM 806 C LYS A 52 -14.790 1.855 -17.529 1.00 0.00 C ATOM 807 O LYS A 52 -14.254 2.940 -17.422 1.00 0.00 O ATOM 808 CB LYS A 52 -16.584 1.300 -15.884 1.00 0.00 C ATOM 809 CG LYS A 52 -16.699 2.564 -15.032 1.00 0.00 C ATOM 810 CD LYS A 52 -18.132 3.095 -15.100 1.00 0.00 C ATOM 811 CE LYS A 52 -19.063 2.159 -14.326 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.699 1.197 -15.270 1.00 0.00 N ATOM 0 H LYS A 52 -17.531 0.027 -17.856 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.802 2.627 -17.570 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.507 0.724 -15.825 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.786 0.663 -15.503 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.429 2.345 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.002 3.321 -15.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.179 4.100 -14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.455 3.168 -16.139 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.501 1.619 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.829 2.737 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.730 1.332 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.337 1.363 -16.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.474 0.224 -14.978 1.00 0.00 H new ATOM 826 N LEU A 53 -14.102 0.784 -17.813 1.00 0.00 N ATOM 827 CA LEU A 53 -12.627 0.873 -18.012 1.00 0.00 C ATOM 828 C LEU A 53 -12.331 1.730 -19.245 1.00 0.00 C ATOM 829 O LEU A 53 -11.432 2.547 -19.244 1.00 0.00 O ATOM 830 CB LEU A 53 -12.061 -0.536 -18.218 1.00 0.00 C ATOM 831 CG LEU A 53 -10.570 -0.558 -17.870 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.157 -1.983 -17.500 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.753 -0.090 -19.078 1.00 0.00 C ATOM 0 H LEU A 53 -14.498 -0.151 -17.916 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.164 1.328 -17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.599 -1.248 -17.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.206 -0.847 -19.252 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.385 0.108 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.096 -2.001 -17.252 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.737 -2.318 -16.640 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.344 -2.647 -18.344 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.692 -0.106 -18.828 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.937 -0.755 -19.922 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.047 0.925 -19.345 1.00 0.00 H new ATOM 845 N GLU A 54 -13.078 1.545 -20.299 1.00 0.00 N ATOM 846 CA GLU A 54 -12.838 2.343 -21.534 1.00 0.00 C ATOM 847 C GLU A 54 -13.229 3.806 -21.292 1.00 0.00 C ATOM 848 O GLU A 54 -12.723 4.705 -21.933 1.00 0.00 O ATOM 849 CB GLU A 54 -13.683 1.771 -22.676 1.00 0.00 C ATOM 850 CG GLU A 54 -13.356 2.505 -23.978 1.00 0.00 C ATOM 851 CD GLU A 54 -14.629 2.649 -24.814 1.00 0.00 C ATOM 852 OE1 GLU A 54 -15.413 1.714 -24.829 1.00 0.00 O ATOM 853 OE2 GLU A 54 -14.798 3.691 -25.426 1.00 0.00 O ATOM 0 H GLU A 54 -13.845 0.875 -20.358 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.781 2.294 -21.797 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.485 0.705 -22.789 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.743 1.876 -22.445 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.938 3.488 -23.759 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.600 1.955 -24.538 1.00 0.00 H new ATOM 860 N LYS A 55 -14.126 4.051 -20.378 1.00 0.00 N ATOM 861 CA LYS A 55 -14.547 5.456 -20.106 1.00 0.00 C ATOM 862 C LYS A 55 -13.502 6.155 -19.233 1.00 0.00 C ATOM 863 O LYS A 55 -12.879 7.115 -19.643 1.00 0.00 O ATOM 864 CB LYS A 55 -15.896 5.454 -19.383 1.00 0.00 C ATOM 865 CG LYS A 55 -16.746 6.629 -19.876 1.00 0.00 C ATOM 866 CD LYS A 55 -18.187 6.455 -19.392 1.00 0.00 C ATOM 867 CE LYS A 55 -18.859 5.325 -20.175 1.00 0.00 C ATOM 868 NZ LYS A 55 -18.767 4.059 -19.395 1.00 0.00 N ATOM 0 H LYS A 55 -14.586 3.341 -19.808 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.639 5.991 -21.051 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.416 4.514 -19.566 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.743 5.529 -18.306 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.337 7.569 -19.504 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.720 6.679 -20.965 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.198 6.229 -18.326 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.741 7.384 -19.527 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.903 5.572 -20.367 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.377 5.203 -21.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.383 3.306 -20.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.140 4.200 -18.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.714 3.787 -19.062 1.00 0.00 H new ATOM 882 N ALA A 56 -13.310 5.688 -18.030 1.00 0.00 N ATOM 883 CA ALA A 56 -12.312 6.333 -17.129 1.00 0.00 C ATOM 884 C ALA A 56 -10.952 6.407 -17.830 1.00 0.00 C ATOM 885 O ALA A 56 -10.159 7.291 -17.573 1.00 0.00 O ATOM 886 CB ALA A 56 -12.179 5.511 -15.846 1.00 0.00 C ATOM 0 H ALA A 56 -13.801 4.888 -17.631 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.646 7.341 -16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.450 5.981 -15.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.145 5.463 -15.343 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.847 4.502 -16.093 1.00 0.00 H new ATOM 892 N ALA A 57 -10.674 5.485 -18.710 1.00 0.00 N ATOM 893 CA ALA A 57 -9.363 5.505 -19.420 1.00 0.00 C ATOM 894 C ALA A 57 -9.358 6.626 -20.463 1.00 0.00 C ATOM 895 O ALA A 57 -8.412 7.381 -20.571 1.00 0.00 O ATOM 896 CB ALA A 57 -9.139 4.161 -20.114 1.00 0.00 C ATOM 0 H ALA A 57 -11.297 4.719 -18.968 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.565 5.680 -18.699 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.181 4.175 -20.633 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.137 3.364 -19.371 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.939 3.985 -20.833 1.00 0.00 H new ATOM 902 N VAL A 58 -10.405 6.738 -21.234 1.00 0.00 N ATOM 903 CA VAL A 58 -10.456 7.808 -22.270 1.00 0.00 C ATOM 904 C VAL A 58 -10.333 9.179 -21.600 1.00 0.00 C ATOM 905 O VAL A 58 -9.848 10.125 -22.187 1.00 0.00 O ATOM 906 CB VAL A 58 -11.787 7.727 -23.021 1.00 0.00 C ATOM 907 CG1 VAL A 58 -12.053 9.054 -23.733 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.722 6.599 -24.053 1.00 0.00 C ATOM 0 H VAL A 58 -11.227 6.135 -21.191 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.632 7.672 -22.971 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.592 7.527 -22.313 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.001 8.996 -24.268 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.099 9.858 -22.999 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.249 9.255 -24.441 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.670 6.541 -24.588 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.917 6.799 -24.760 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.533 5.653 -23.546 1.00 0.00 H new ATOM 918 N GLU A 59 -10.771 9.294 -20.377 1.00 0.00 N ATOM 919 CA GLU A 59 -10.681 10.604 -19.673 1.00 0.00 C ATOM 920 C GLU A 59 -9.224 10.891 -19.302 1.00 0.00 C ATOM 921 O GLU A 59 -8.678 11.922 -19.643 1.00 0.00 O ATOM 922 CB GLU A 59 -11.533 10.560 -18.403 1.00 0.00 C ATOM 923 CG GLU A 59 -12.130 11.944 -18.139 1.00 0.00 C ATOM 924 CD GLU A 59 -13.306 12.181 -19.089 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.431 11.433 -20.043 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.063 13.107 -18.844 1.00 0.00 O ATOM 0 H GLU A 59 -11.187 8.537 -19.834 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.047 11.393 -20.330 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.329 9.824 -18.512 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.924 10.247 -17.555 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.464 12.016 -17.104 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.371 12.713 -18.283 1.00 0.00 H new ATOM 933 N ALA A 60 -8.590 9.988 -18.604 1.00 0.00 N ATOM 934 CA ALA A 60 -7.170 10.212 -18.210 1.00 0.00 C ATOM 935 C ALA A 60 -6.334 10.520 -19.454 1.00 0.00 C ATOM 936 O ALA A 60 -5.498 11.402 -19.450 1.00 0.00 O ATOM 937 CB ALA A 60 -6.626 8.956 -17.528 1.00 0.00 C ATOM 0 H ALA A 60 -8.994 9.106 -18.290 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.115 11.054 -17.520 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.588 9.119 -17.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.219 8.738 -16.640 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.683 8.114 -18.218 1.00 0.00 H new ATOM 943 N PHE A 61 -6.549 9.797 -20.520 1.00 0.00 N ATOM 944 CA PHE A 61 -5.765 10.047 -21.762 1.00 0.00 C ATOM 945 C PHE A 61 -6.023 11.473 -22.252 1.00 0.00 C ATOM 946 O PHE A 61 -5.121 12.161 -22.691 1.00 0.00 O ATOM 947 CB PHE A 61 -6.193 9.051 -22.841 1.00 0.00 C ATOM 948 CG PHE A 61 -5.225 9.111 -23.999 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.875 8.795 -23.799 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.676 9.481 -25.271 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.978 8.849 -24.873 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.778 9.535 -26.344 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.430 9.219 -26.145 1.00 0.00 C ATOM 0 H PHE A 61 -7.234 9.044 -20.584 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.702 9.924 -21.553 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.220 8.042 -22.429 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.201 9.282 -23.184 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.526 8.510 -22.817 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.717 9.725 -25.425 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.937 8.605 -24.720 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.126 9.821 -27.326 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.738 9.261 -26.973 1.00 0.00 H new ATOM 963 N LYS A 62 -7.245 11.924 -22.184 1.00 0.00 N ATOM 964 CA LYS A 62 -7.560 13.303 -22.648 1.00 0.00 C ATOM 965 C LYS A 62 -6.825 14.318 -21.770 1.00 0.00 C ATOM 966 O LYS A 62 -6.528 15.419 -22.190 1.00 0.00 O ATOM 967 CB LYS A 62 -9.069 13.543 -22.550 1.00 0.00 C ATOM 968 CG LYS A 62 -9.710 13.319 -23.921 1.00 0.00 C ATOM 969 CD LYS A 62 -9.548 14.581 -24.772 1.00 0.00 C ATOM 970 CE LYS A 62 -10.177 14.356 -26.148 1.00 0.00 C ATOM 971 NZ LYS A 62 -9.118 14.428 -27.195 1.00 0.00 N ATOM 0 H LYS A 62 -8.040 11.395 -21.826 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.240 13.419 -23.683 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.509 12.868 -21.816 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.265 14.559 -22.206 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.242 12.469 -24.419 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.767 13.079 -23.805 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.023 15.428 -24.278 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.491 14.826 -24.880 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.670 13.384 -26.180 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.943 15.108 -26.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.544 14.275 -28.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.667 15.365 -27.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.403 13.694 -27.016 1.00 0.00 H new ATOM 985 N MET A 63 -6.527 13.956 -20.552 1.00 0.00 N ATOM 986 CA MET A 63 -5.811 14.899 -19.648 1.00 0.00 C ATOM 987 C MET A 63 -4.323 14.912 -20.007 1.00 0.00 C ATOM 988 O MET A 63 -3.642 15.903 -19.835 1.00 0.00 O ATOM 989 CB MET A 63 -5.983 14.445 -18.197 1.00 0.00 C ATOM 990 CG MET A 63 -7.142 15.211 -17.556 1.00 0.00 C ATOM 991 SD MET A 63 -7.498 14.513 -15.925 1.00 0.00 S ATOM 992 CE MET A 63 -8.626 13.211 -16.479 1.00 0.00 C ATOM 0 H MET A 63 -6.749 13.048 -20.144 1.00 0.00 H new ATOM 0 HA MET A 63 -6.223 15.901 -19.764 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.178 13.373 -18.161 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.064 14.621 -17.638 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.887 16.267 -17.464 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.027 15.151 -18.190 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.335 12.262 -16.029 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.644 13.458 -16.177 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.580 13.128 -17.565 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.817 13.818 -20.507 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.375 13.766 -20.879 1.00 0.00 C ATOM 1004 C GLY A 64 -1.763 12.457 -20.378 1.00 0.00 C ATOM 1005 O GLY A 64 -0.698 12.056 -20.802 1.00 0.00 O ATOM 0 H GLY A 64 -4.340 12.958 -20.674 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.265 13.840 -21.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.846 14.615 -20.446 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.429 11.788 -19.477 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.885 10.505 -18.948 1.00 0.00 C ATOM 1011 C PHE A 65 -1.734 9.505 -20.095 1.00 0.00 C ATOM 1012 O PHE A 65 -2.624 9.333 -20.903 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.846 9.937 -17.903 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.787 10.780 -16.653 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.858 10.482 -15.649 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -3.665 11.860 -16.497 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.806 11.266 -14.489 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -3.613 12.641 -15.338 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.684 12.345 -14.334 1.00 0.00 C ATOM 0 H PHE A 65 -3.326 12.074 -19.084 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.912 10.684 -18.490 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.862 9.923 -18.297 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.580 8.906 -17.672 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.182 9.648 -15.769 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.382 12.090 -17.271 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.089 11.038 -13.715 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.290 13.473 -15.218 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.645 12.949 -13.440 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.615 8.839 -20.170 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.410 7.847 -21.262 1.00 0.00 C ATOM 1031 C GLU A 66 -1.007 6.503 -20.840 1.00 0.00 C ATOM 1032 O GLU A 66 -0.307 5.612 -20.402 1.00 0.00 O ATOM 1033 CB GLU A 66 1.087 7.679 -21.527 1.00 0.00 C ATOM 1034 CG GLU A 66 1.444 8.324 -22.868 1.00 0.00 C ATOM 1035 CD GLU A 66 1.210 9.834 -22.786 1.00 0.00 C ATOM 1036 OE1 GLU A 66 0.099 10.257 -23.056 1.00 0.00 O ATOM 1037 OE2 GLU A 66 2.148 10.541 -22.455 1.00 0.00 O ATOM 0 H GLU A 66 0.166 8.939 -19.522 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.900 8.197 -22.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.663 8.140 -20.725 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.348 6.621 -21.539 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.485 8.120 -23.116 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.836 7.894 -23.664 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.298 6.352 -20.964 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.939 5.065 -20.566 1.00 0.00 C ATOM 1046 C VAL A 67 -2.257 3.907 -21.294 1.00 0.00 C ATOM 1047 O VAL A 67 -2.033 3.956 -22.487 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.422 5.097 -20.939 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.566 5.335 -22.442 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -5.066 3.758 -20.572 1.00 0.00 C ATOM 0 H VAL A 67 -2.936 7.062 -21.323 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.837 4.928 -19.490 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.917 5.902 -20.395 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.623 5.358 -22.707 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.105 6.287 -22.705 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.072 4.530 -22.987 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.123 3.778 -20.837 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.571 2.954 -21.117 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.964 3.587 -19.500 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.927 2.862 -20.585 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.263 1.701 -21.239 1.00 0.00 C ATOM 1062 C LEU A 68 -2.197 0.490 -21.188 1.00 0.00 C ATOM 1063 O LEU A 68 -2.845 0.235 -20.193 1.00 0.00 O ATOM 1064 CB LEU A 68 0.038 1.373 -20.503 1.00 0.00 C ATOM 1065 CG LEU A 68 1.103 0.956 -21.518 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.461 0.856 -20.823 1.00 0.00 C ATOM 1067 CD2 LEU A 68 0.734 -0.405 -22.111 1.00 0.00 C ATOM 0 H LEU A 68 -2.089 2.763 -19.583 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.039 1.947 -22.277 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.378 2.241 -19.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.130 0.571 -19.785 1.00 0.00 H new ATOM 0 HG LEU A 68 1.157 1.699 -22.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.219 0.559 -21.547 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.725 1.825 -20.398 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.409 0.113 -20.027 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.492 -0.704 -22.835 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.681 -1.147 -21.314 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.234 -0.335 -22.607 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.275 -0.256 -22.255 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.170 -1.446 -22.270 1.00 0.00 C ATOM 1081 C GLU A 69 -3.122 -2.141 -20.908 1.00 0.00 C ATOM 1082 O GLU A 69 -2.220 -1.928 -20.123 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.710 -2.418 -23.358 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.534 -2.191 -24.626 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.313 -0.765 -25.132 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.168 -0.347 -25.188 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.293 -0.112 -25.456 1.00 0.00 O ATOM 0 H GLU A 69 -1.757 -0.092 -23.118 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.192 -1.128 -22.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.651 -2.270 -23.568 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.826 -3.446 -23.015 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.245 -2.909 -25.393 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.592 -2.355 -24.419 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.088 -2.970 -20.621 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.101 -3.676 -19.310 1.00 0.00 C ATOM 1096 C ALA A 70 -3.658 -5.127 -19.503 1.00 0.00 C ATOM 1097 O ALA A 70 -3.375 -5.560 -20.602 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.517 -3.649 -18.732 1.00 0.00 C ATOM 0 H ALA A 70 -4.869 -3.189 -21.239 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.416 -3.177 -18.624 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.528 -4.166 -17.772 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.833 -2.615 -18.591 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.200 -4.147 -19.420 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.598 -5.881 -18.440 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.177 -7.306 -18.556 1.00 0.00 C ATOM 1106 C GLU A 71 -3.908 -8.135 -17.499 1.00 0.00 C ATOM 1107 O GLU A 71 -3.572 -8.104 -16.332 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.666 -7.414 -18.336 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.197 -8.822 -18.710 1.00 0.00 C ATOM 1110 CD GLU A 71 0.125 -9.125 -18.002 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.213 -8.859 -16.815 1.00 0.00 O ATOM 1112 OE2 GLU A 71 1.026 -9.620 -18.660 1.00 0.00 O ATOM 0 H GLU A 71 -3.823 -5.571 -17.494 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.424 -7.680 -19.550 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.145 -6.672 -18.942 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.423 -7.202 -17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.951 -9.556 -18.425 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.070 -8.899 -19.790 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.908 -8.872 -17.899 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.666 -9.703 -16.921 1.00 0.00 C ATOM 1121 C GLU A 72 -4.721 -10.207 -15.830 1.00 0.00 C ATOM 1122 O GLU A 72 -3.864 -11.036 -16.071 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.293 -10.896 -17.644 1.00 0.00 C ATOM 1124 CG GLU A 72 -7.535 -10.435 -18.408 1.00 0.00 C ATOM 1125 CD GLU A 72 -8.265 -11.651 -18.980 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -7.592 -12.552 -19.456 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -9.483 -11.662 -18.933 1.00 0.00 O ATOM 0 H GLU A 72 -5.234 -8.935 -18.864 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.451 -9.098 -16.466 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.572 -11.337 -18.333 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.562 -11.670 -16.925 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.197 -9.879 -17.744 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.249 -9.758 -19.213 1.00 0.00 H new ATOM 1134 N THR A 73 -4.868 -9.714 -14.631 1.00 0.00 N ATOM 1135 CA THR A 73 -3.977 -10.164 -13.524 1.00 0.00 C ATOM 1136 C THR A 73 -4.820 -10.805 -12.421 1.00 0.00 C ATOM 1137 O THR A 73 -5.951 -11.191 -12.635 1.00 0.00 O ATOM 1138 CB THR A 73 -3.225 -8.961 -12.953 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.280 -9.409 -11.991 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.218 -8.005 -12.291 1.00 0.00 C ATOM 0 H THR A 73 -5.567 -9.019 -14.370 1.00 0.00 H new ATOM 0 HA THR A 73 -3.262 -10.892 -13.907 1.00 0.00 H new ATOM 0 HB THR A 73 -2.705 -8.440 -13.757 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.796 -8.640 -11.625 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.682 -7.148 -11.884 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.942 -7.663 -13.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.739 -8.522 -11.486 1.00 0.00 H new ATOM 1223 N LYS A 80 -9.617 -12.668 -11.523 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.257 -12.155 -12.873 1.00 0.00 C ATOM 1225 C LYS A 80 -9.894 -10.780 -13.080 1.00 0.00 C ATOM 1226 O LYS A 80 -11.101 -10.646 -13.142 1.00 0.00 O ATOM 1227 CB LYS A 80 -9.771 -13.123 -13.941 1.00 0.00 C ATOM 1228 CG LYS A 80 -9.010 -14.445 -13.836 1.00 0.00 C ATOM 1229 CD LYS A 80 -8.914 -15.092 -15.219 1.00 0.00 C ATOM 1230 CE LYS A 80 -8.088 -14.197 -16.144 1.00 0.00 C ATOM 1231 NZ LYS A 80 -7.045 -15.016 -16.825 1.00 0.00 N ATOM 0 HA LYS A 80 -8.173 -12.070 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.839 -13.294 -13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.638 -12.692 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.012 -14.271 -13.435 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.519 -15.116 -13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.453 -16.076 -15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.911 -15.240 -15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.735 -13.724 -16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.620 -13.396 -15.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.483 -14.408 -17.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.422 -15.447 -16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.502 -15.765 -17.384 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.093 -9.756 -13.185 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.652 -8.390 -13.381 1.00 0.00 C ATOM 1247 C LEU A 81 -8.803 -7.632 -14.404 1.00 0.00 C ATOM 1248 O LEU A 81 -7.659 -7.962 -14.641 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.631 -7.637 -12.051 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.287 -7.866 -11.356 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.861 -6.588 -10.632 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.425 -9.006 -10.343 1.00 0.00 C ATOM 0 H LEU A 81 -8.075 -9.807 -13.143 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.677 -8.467 -13.743 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.787 -6.572 -12.221 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.445 -7.981 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.534 -8.129 -12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.904 -6.752 -10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.762 -5.777 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.613 -6.323 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.468 -9.170 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.178 -8.743 -9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.727 -9.917 -10.859 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.354 -6.616 -15.007 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.578 -5.833 -16.009 1.00 0.00 C ATOM 1266 C LEU A 82 -7.820 -4.715 -15.293 1.00 0.00 C ATOM 1267 O LEU A 82 -8.391 -3.946 -14.543 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.534 -5.226 -17.036 1.00 0.00 C ATOM 1269 CG LEU A 82 -10.034 -6.324 -17.977 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.167 -7.097 -17.302 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.550 -5.689 -19.270 1.00 0.00 C ATOM 0 H LEU A 82 -10.309 -6.294 -14.849 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.871 -6.488 -16.519 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.376 -4.754 -16.530 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.027 -4.447 -17.605 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.216 -7.006 -18.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.523 -7.879 -17.972 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.801 -7.548 -16.380 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.986 -6.415 -17.072 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.907 -6.470 -19.942 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.369 -5.007 -19.039 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.743 -5.137 -19.752 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.538 -4.621 -15.511 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.747 -3.555 -14.835 1.00 0.00 C ATOM 1285 C CYS A 83 -5.003 -2.719 -15.877 1.00 0.00 C ATOM 1286 O CYS A 83 -4.021 -3.150 -16.447 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.733 -4.200 -13.888 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.597 -5.240 -14.837 1.00 0.00 S ATOM 0 H CYS A 83 -6.005 -5.235 -16.127 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.422 -2.911 -14.272 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.177 -3.429 -13.354 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.250 -4.798 -13.138 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.225 -4.609 -15.911 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.455 -1.519 -16.125 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.760 -0.658 -17.121 1.00 0.00 C ATOM 1296 C PHE A 84 -3.819 0.293 -16.380 1.00 0.00 C ATOM 1297 O PHE A 84 -4.002 0.576 -15.213 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.786 0.149 -17.920 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.687 0.911 -16.978 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.686 0.238 -16.265 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.526 2.294 -16.822 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.525 0.947 -15.396 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.365 3.003 -15.955 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.364 2.329 -15.242 1.00 0.00 C ATOM 0 H PHE A 84 -6.273 -1.100 -15.682 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.190 -1.281 -17.810 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.275 0.842 -18.589 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.380 -0.518 -18.545 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.810 -0.828 -16.385 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.754 2.813 -17.371 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.295 0.428 -14.845 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.242 4.069 -15.836 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.011 2.876 -14.572 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.806 0.783 -17.040 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.856 1.705 -16.355 1.00 0.00 C ATOM 1316 C ASP A 85 -1.711 2.999 -17.157 1.00 0.00 C ATOM 1317 O ASP A 85 -2.136 3.094 -18.292 1.00 0.00 O ATOM 1318 CB ASP A 85 -0.489 1.027 -16.232 1.00 0.00 C ATOM 1319 CG ASP A 85 -0.592 -0.422 -16.711 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.599 -0.629 -17.914 1.00 0.00 O ATOM 1321 OD2 ASP A 85 -0.663 -1.300 -15.867 1.00 0.00 O ATOM 0 H ASP A 85 -2.595 0.587 -18.018 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.241 1.941 -15.363 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.250 1.565 -16.825 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.149 1.055 -15.197 1.00 0.00 H new ATOM 1326 N ALA A 86 -1.106 3.996 -16.571 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.922 5.289 -17.286 1.00 0.00 C ATOM 1328 C ALA A 86 0.449 5.866 -16.930 1.00 0.00 C ATOM 1329 O ALA A 86 0.981 5.611 -15.867 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.017 6.270 -16.862 1.00 0.00 C ATOM 0 H ALA A 86 -0.730 3.969 -15.623 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.984 5.126 -18.362 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.881 7.216 -17.386 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.994 5.855 -17.110 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.958 6.439 -15.787 1.00 0.00 H new ATOM 1336 N THR A 87 1.028 6.639 -17.807 1.00 0.00 N ATOM 1337 CA THR A 87 2.367 7.223 -17.509 1.00 0.00 C ATOM 1338 C THR A 87 2.349 8.726 -17.793 1.00 0.00 C ATOM 1339 O THR A 87 1.541 9.215 -18.557 1.00 0.00 O ATOM 1340 CB THR A 87 3.424 6.549 -18.387 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.861 6.245 -19.655 1.00 0.00 O ATOM 1342 CG2 THR A 87 3.900 5.260 -17.713 1.00 0.00 C ATOM 0 H THR A 87 0.634 6.891 -18.714 1.00 0.00 H new ATOM 0 HA THR A 87 2.607 7.058 -16.459 1.00 0.00 H new ATOM 0 HB THR A 87 4.271 7.222 -18.519 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.537 5.815 -20.219 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.653 4.779 -18.338 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.332 5.496 -16.741 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.054 4.585 -17.580 1.00 0.00 H new ATOM 1350 N MET A 88 3.235 9.463 -17.179 1.00 0.00 N ATOM 1351 CA MET A 88 3.271 10.934 -17.409 1.00 0.00 C ATOM 1352 C MET A 88 4.687 11.457 -17.158 1.00 0.00 C ATOM 1353 O MET A 88 5.199 11.387 -16.059 1.00 0.00 O ATOM 1354 CB MET A 88 2.297 11.622 -16.449 1.00 0.00 C ATOM 1355 CG MET A 88 2.405 13.140 -16.609 1.00 0.00 C ATOM 1356 SD MET A 88 1.393 13.951 -15.346 1.00 0.00 S ATOM 1357 CE MET A 88 0.040 14.459 -16.434 1.00 0.00 C ATOM 0 H MET A 88 3.936 9.109 -16.528 1.00 0.00 H new ATOM 0 HA MET A 88 2.983 11.148 -18.438 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.277 11.296 -16.654 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.522 11.338 -15.421 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.445 13.454 -16.514 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.072 13.437 -17.604 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.902 14.419 -15.887 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.215 15.477 -16.781 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.010 13.787 -17.291 1.00 0.00 H new ATOM 1367 N GLN A 89 5.323 11.986 -18.168 1.00 0.00 N ATOM 1368 CA GLN A 89 6.703 12.518 -17.984 1.00 0.00 C ATOM 1369 C GLN A 89 6.625 13.963 -17.483 1.00 0.00 C ATOM 1370 O GLN A 89 5.881 14.769 -18.005 1.00 0.00 O ATOM 1371 CB GLN A 89 7.447 12.482 -19.320 1.00 0.00 C ATOM 1372 CG GLN A 89 8.167 11.140 -19.468 1.00 0.00 C ATOM 1373 CD GLN A 89 7.150 10.002 -19.366 1.00 0.00 C ATOM 1374 OE1 GLN A 89 7.489 8.899 -18.985 1.00 0.00 O ATOM 1375 NE2 GLN A 89 5.906 10.225 -19.693 1.00 0.00 N ATOM 0 H GLN A 89 4.947 12.073 -19.112 1.00 0.00 H new ATOM 0 HA GLN A 89 7.236 11.906 -17.256 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.746 12.623 -20.143 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.166 13.300 -19.370 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.683 11.096 -20.427 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.926 11.035 -18.692 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.621 11.151 -20.013 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.219 9.474 -19.629 1.00 0.00 H new ATOM 1384 N SER A 90 7.384 14.297 -16.476 1.00 0.00 N ATOM 1385 CA SER A 90 7.345 15.690 -15.948 1.00 0.00 C ATOM 1386 C SER A 90 8.543 15.921 -15.024 1.00 0.00 C ATOM 1387 O SER A 90 9.425 15.093 -14.917 1.00 0.00 O ATOM 1388 CB SER A 90 6.048 15.904 -15.167 1.00 0.00 C ATOM 1389 OG SER A 90 6.171 15.309 -13.883 1.00 0.00 O ATOM 0 H SER A 90 8.028 13.668 -15.997 1.00 0.00 H new ATOM 0 HA SER A 90 7.388 16.394 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.841 16.970 -15.069 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.209 15.464 -15.706 1.00 0.00 H new ATOM 0 HG SER A 90 5.342 15.446 -13.378 1.00 0.00 H new ATOM 1395 N ALA A 91 8.580 17.042 -14.358 1.00 0.00 N ATOM 1396 CA ALA A 91 9.722 17.328 -13.442 1.00 0.00 C ATOM 1397 C ALA A 91 9.365 16.879 -12.023 1.00 0.00 C ATOM 1398 O ALA A 91 8.409 17.345 -11.434 1.00 0.00 O ATOM 1399 CB ALA A 91 10.013 18.830 -13.445 1.00 0.00 C ATOM 0 H ALA A 91 7.870 17.772 -14.408 1.00 0.00 H new ATOM 0 HA ALA A 91 10.605 16.786 -13.782 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.847 19.040 -12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.269 19.149 -14.455 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.130 19.372 -13.106 1.00 0.00 H new ATOM 1405 N LEU A 92 10.129 15.979 -11.467 1.00 0.00 N ATOM 1406 CA LEU A 92 9.838 15.500 -10.086 1.00 0.00 C ATOM 1407 C LEU A 92 9.348 16.671 -9.232 1.00 0.00 C ATOM 1408 O LEU A 92 9.916 17.746 -9.249 1.00 0.00 O ATOM 1409 CB LEU A 92 11.114 14.912 -9.473 1.00 0.00 C ATOM 1410 CG LEU A 92 10.861 14.504 -8.017 1.00 0.00 C ATOM 1411 CD1 LEU A 92 9.989 13.246 -7.977 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.200 14.216 -7.333 1.00 0.00 C ATOM 0 H LEU A 92 10.943 15.554 -11.910 1.00 0.00 H new ATOM 0 HA LEU A 92 9.065 14.732 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.438 14.046 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.919 15.645 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 92 10.349 15.314 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.811 12.959 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.036 13.448 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.498 12.434 -8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.024 13.925 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.709 13.406 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.821 15.111 -7.358 1.00 0.00 H new ATOM 1424 N ASP A 93 8.297 16.473 -8.484 1.00 0.00 N ATOM 1425 CA ASP A 93 7.771 17.572 -7.627 1.00 0.00 C ATOM 1426 C ASP A 93 6.564 17.065 -6.836 1.00 0.00 C ATOM 1427 O ASP A 93 5.527 16.761 -7.392 1.00 0.00 O ATOM 1428 CB ASP A 93 7.345 18.748 -8.509 1.00 0.00 C ATOM 1429 CG ASP A 93 8.521 19.712 -8.677 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.240 19.913 -7.712 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.682 20.234 -9.768 1.00 0.00 O ATOM 0 H ASP A 93 7.779 15.596 -8.430 1.00 0.00 H new ATOM 0 HA ASP A 93 8.548 17.899 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.016 18.385 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.498 19.266 -8.059 1.00 0.00 H new ATOM 1436 N ALA A 94 6.691 16.969 -5.540 1.00 0.00 N ATOM 1437 CA ALA A 94 5.553 16.478 -4.713 1.00 0.00 C ATOM 1438 C ALA A 94 4.263 17.184 -5.142 1.00 0.00 C ATOM 1439 O ALA A 94 3.374 16.580 -5.706 1.00 0.00 O ATOM 1440 CB ALA A 94 5.830 16.776 -3.238 1.00 0.00 C ATOM 0 H ALA A 94 7.534 17.210 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 94 5.441 15.403 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.998 16.417 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.746 16.272 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.943 17.851 -3.099 1.00 0.00 H new ATOM 1446 N LYS A 95 4.153 18.456 -4.874 1.00 0.00 N ATOM 1447 CA LYS A 95 2.918 19.198 -5.261 1.00 0.00 C ATOM 1448 C LYS A 95 2.443 18.736 -6.640 1.00 0.00 C ATOM 1449 O LYS A 95 1.280 18.449 -6.841 1.00 0.00 O ATOM 1450 CB LYS A 95 3.219 20.699 -5.304 1.00 0.00 C ATOM 1451 CG LYS A 95 4.122 21.075 -4.128 1.00 0.00 C ATOM 1452 CD LYS A 95 3.558 22.313 -3.426 1.00 0.00 C ATOM 1453 CE LYS A 95 3.668 23.522 -4.358 1.00 0.00 C ATOM 1454 NZ LYS A 95 3.506 24.775 -3.567 1.00 0.00 N ATOM 0 H LYS A 95 4.865 19.015 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 95 2.136 19.000 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.705 20.956 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.290 21.268 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.187 20.244 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.134 21.274 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.517 22.146 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.105 22.501 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.635 23.520 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.904 23.468 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.581 25.597 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.574 24.776 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.250 24.827 -2.843 1.00 0.00 H new ATOM 1468 N LEU A 96 3.328 18.670 -7.595 1.00 0.00 N ATOM 1469 CA LEU A 96 2.919 18.233 -8.961 1.00 0.00 C ATOM 1470 C LEU A 96 2.316 16.828 -8.895 1.00 0.00 C ATOM 1471 O LEU A 96 1.209 16.596 -9.341 1.00 0.00 O ATOM 1472 CB LEU A 96 4.143 18.219 -9.878 1.00 0.00 C ATOM 1473 CG LEU A 96 3.739 18.687 -11.276 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.991 18.889 -12.130 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.843 17.630 -11.927 1.00 0.00 C ATOM 0 H LEU A 96 4.316 18.899 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 96 2.175 18.926 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.919 18.870 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.563 17.214 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 96 3.196 19.629 -11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.702 19.223 -13.127 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.630 19.641 -11.667 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.535 17.948 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.554 17.962 -12.924 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.387 16.688 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.950 17.486 -11.319 1.00 0.00 H new ATOM 1487 N ILE A 97 3.034 15.887 -8.349 1.00 0.00 N ATOM 1488 CA ILE A 97 2.502 14.497 -8.262 1.00 0.00 C ATOM 1489 C ILE A 97 1.180 14.500 -7.491 1.00 0.00 C ATOM 1490 O ILE A 97 0.313 13.681 -7.725 1.00 0.00 O ATOM 1491 CB ILE A 97 3.515 13.607 -7.540 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.833 13.605 -8.316 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.971 12.179 -7.456 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.985 13.278 -7.364 1.00 0.00 C ATOM 0 H ILE A 97 3.967 16.020 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 97 2.332 14.111 -9.267 1.00 0.00 H new ATOM 0 HB ILE A 97 3.685 13.991 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.792 12.871 -9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.996 14.578 -8.780 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.693 11.544 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.031 12.180 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.802 11.794 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.924 13.276 -7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.029 14.029 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.823 12.295 -6.921 1.00 0.00 H new ATOM 1506 N ASP A 98 1.019 15.411 -6.571 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.247 15.461 -5.789 1.00 0.00 C ATOM 1508 C ASP A 98 -1.414 15.761 -6.731 1.00 0.00 C ATOM 1509 O ASP A 98 -2.476 15.180 -6.623 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.149 16.561 -4.728 1.00 0.00 C ATOM 1511 CG ASP A 98 0.850 16.141 -3.648 1.00 0.00 C ATOM 1512 OD1 ASP A 98 1.851 15.538 -3.998 1.00 0.00 O ATOM 1513 OD2 ASP A 98 0.596 16.430 -2.491 1.00 0.00 O ATOM 0 H ASP A 98 1.709 16.122 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.412 14.501 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.168 17.497 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.128 16.740 -4.283 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.225 16.661 -7.656 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.324 16.993 -8.605 1.00 0.00 C ATOM 1520 C GLU A 99 -2.629 15.770 -9.470 1.00 0.00 C ATOM 1521 O GLU A 99 -3.772 15.461 -9.745 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.891 18.156 -9.502 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.450 19.468 -8.947 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.196 20.597 -9.948 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -1.660 20.314 -11.007 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -2.544 21.725 -9.639 1.00 0.00 O ATOM 0 H GLU A 99 -0.358 17.180 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.215 17.279 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.803 18.205 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.250 17.997 -10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.519 19.369 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.978 19.701 -7.992 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.616 15.070 -9.901 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.846 13.867 -10.750 1.00 0.00 C ATOM 1535 C GLN A 100 -2.601 12.807 -9.945 1.00 0.00 C ATOM 1536 O GLN A 100 -3.585 12.256 -10.397 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.500 13.299 -11.206 1.00 0.00 C ATOM 1538 CG GLN A 100 0.391 14.437 -11.709 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.434 15.385 -12.580 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -1.207 14.948 -13.411 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.302 16.674 -12.426 1.00 0.00 N ATOM 0 H GLN A 100 -0.638 15.279 -9.702 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.437 14.147 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.014 12.780 -10.380 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.652 12.565 -11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.817 14.980 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.226 14.033 -12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.346 17.041 -11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.847 17.315 -13.003 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.148 12.514 -8.757 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.843 11.487 -7.929 1.00 0.00 C ATOM 1552 C VAL A 101 -4.238 11.991 -7.554 1.00 0.00 C ATOM 1553 O VAL A 101 -5.237 11.389 -7.896 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.036 11.222 -6.657 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -2.737 10.151 -5.820 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.635 10.736 -7.037 1.00 0.00 C ATOM 0 H VAL A 101 -1.329 12.940 -8.324 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.933 10.563 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.959 12.142 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.161 9.963 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.735 10.495 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.815 9.230 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.058 10.546 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.714 9.816 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.135 11.499 -7.633 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.317 13.089 -6.856 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.649 13.628 -6.463 1.00 0.00 C ATOM 1568 C GLU A 102 -6.591 13.590 -7.668 1.00 0.00 C ATOM 1569 O GLU A 102 -7.786 13.417 -7.529 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.495 15.071 -5.981 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.844 15.586 -5.477 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.718 17.063 -5.097 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -5.997 17.352 -4.156 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.343 17.879 -5.753 1.00 0.00 O ATOM 0 H GLU A 102 -3.517 13.637 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.063 13.020 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.753 15.122 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.134 15.701 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.604 15.462 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.168 15.004 -4.614 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.064 13.750 -8.852 1.00 0.00 N ATOM 1582 CA LYS A 103 -6.932 13.722 -10.062 1.00 0.00 C ATOM 1583 C LYS A 103 -7.388 12.286 -10.330 1.00 0.00 C ATOM 1584 O LYS A 103 -8.565 11.986 -10.321 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.143 14.242 -11.267 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.191 15.771 -11.288 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.054 16.307 -12.160 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.572 17.453 -13.030 1.00 0.00 C ATOM 1589 NZ LYS A 103 -6.123 16.902 -14.300 1.00 0.00 N ATOM 0 H LYS A 103 -5.071 13.899 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.805 14.355 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.109 13.901 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.563 13.842 -12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.152 16.110 -11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.101 16.162 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.234 16.655 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.658 15.510 -12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.344 18.008 -12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.765 18.154 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.920 17.490 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.381 16.902 -15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.453 15.928 -14.142 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.464 11.394 -10.569 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.849 9.979 -10.834 1.00 0.00 C ATOM 1605 C LEU A 104 -7.673 9.447 -9.660 1.00 0.00 C ATOM 1606 O LEU A 104 -8.331 8.431 -9.762 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.586 9.131 -11.000 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.941 9.434 -12.353 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.438 9.161 -12.276 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.565 8.540 -13.428 1.00 0.00 C ATOM 0 H LEU A 104 -5.462 11.584 -10.592 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.443 9.927 -11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.883 9.345 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.835 8.072 -10.933 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.108 10.481 -12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.979 9.377 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.991 9.796 -11.511 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.271 8.114 -12.021 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.105 8.756 -14.393 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.398 7.494 -13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.636 8.733 -13.485 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.642 10.127 -8.547 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.425 9.662 -7.367 1.00 0.00 C ATOM 1624 C VAL A 105 -9.867 10.156 -7.485 1.00 0.00 C ATOM 1625 O VAL A 105 -10.785 9.385 -7.678 1.00 0.00 O ATOM 1626 CB VAL A 105 -7.797 10.221 -6.088 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -8.642 9.808 -4.881 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.381 9.664 -5.933 1.00 0.00 C ATOM 0 H VAL A 105 -7.108 10.984 -8.403 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.417 8.573 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.757 11.309 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.195 10.206 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.652 10.203 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.682 8.720 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.932 10.061 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.422 8.576 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.779 9.957 -6.793 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.073 11.441 -7.371 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.455 11.987 -7.476 1.00 0.00 C ATOM 1640 C ASN A 106 -12.121 11.449 -8.745 1.00 0.00 C ATOM 1641 O ASN A 106 -13.297 11.148 -8.759 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.395 13.514 -7.539 1.00 0.00 C ATOM 1643 CG ASN A 106 -10.159 14.006 -6.785 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -9.558 14.994 -7.158 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -9.750 13.352 -5.732 1.00 0.00 N ATOM 0 H ASN A 106 -9.343 12.135 -7.210 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.034 11.682 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.357 13.845 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.296 13.943 -7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.926 13.670 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.255 12.523 -5.419 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.377 11.323 -9.810 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.968 10.801 -11.074 1.00 0.00 C ATOM 1654 C LEU A 107 -12.232 9.302 -10.932 1.00 0.00 C ATOM 1655 O LEU A 107 -13.236 8.791 -11.388 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.994 11.040 -12.230 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.426 10.212 -13.442 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.292 11.055 -14.710 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.532 8.975 -13.558 1.00 0.00 C ATOM 0 H LEU A 107 -10.386 11.559 -9.859 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.906 11.318 -11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.973 12.099 -12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.983 10.765 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.464 9.903 -13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.600 10.465 -15.573 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.926 11.938 -14.629 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.254 11.364 -14.833 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.839 8.384 -14.421 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.495 9.286 -13.681 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.625 8.373 -12.654 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.336 8.591 -10.305 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.532 7.124 -10.133 1.00 0.00 C ATOM 1673 C ALA A 108 -12.897 6.860 -9.496 1.00 0.00 C ATOM 1674 O ALA A 108 -13.703 6.114 -10.017 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.431 6.566 -9.230 1.00 0.00 C ATOM 0 H ALA A 108 -10.475 8.963 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.487 6.636 -11.107 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.573 5.493 -9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.458 6.752 -9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.476 7.055 -8.257 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.162 7.464 -8.371 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.475 7.246 -7.700 1.00 0.00 C ATOM 1683 C GLU A 109 -15.580 7.928 -8.509 1.00 0.00 C ATOM 1684 O GLU A 109 -16.695 7.450 -8.578 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.432 7.838 -6.291 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.453 7.035 -5.431 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.918 5.581 -5.352 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -14.708 5.280 -4.473 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -13.475 4.792 -6.171 1.00 0.00 O ATOM 0 H GLU A 109 -12.527 8.099 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.679 6.177 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.124 8.883 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.426 7.817 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.452 7.085 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.395 7.464 -4.431 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.282 9.042 -9.122 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.320 9.746 -9.926 1.00 0.00 C ATOM 1698 C LYS A 110 -16.825 8.810 -11.026 1.00 0.00 C ATOM 1699 O LYS A 110 -17.914 8.970 -11.541 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.716 11.006 -10.551 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.830 11.857 -11.162 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.281 13.245 -11.503 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.443 14.225 -11.674 1.00 0.00 C ATOM 1704 NZ LYS A 110 -18.542 13.565 -12.435 1.00 0.00 N ATOM 0 H LYS A 110 -14.367 9.493 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.153 10.032 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.180 11.579 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.991 10.733 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.218 11.377 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.661 11.944 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.615 13.589 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.692 13.200 -12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.806 14.549 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.106 15.117 -12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.147 14.290 -12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.136 12.961 -13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.111 12.983 -11.788 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.043 7.828 -11.385 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.479 6.873 -12.445 1.00 0.00 C ATOM 1720 C PHE A 111 -16.985 5.589 -11.783 1.00 0.00 C ATOM 1721 O PHE A 111 -18.173 5.355 -11.685 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.296 6.541 -13.357 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.092 7.657 -14.353 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -14.873 8.964 -13.904 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -15.118 7.385 -15.725 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -14.682 9.999 -14.825 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.926 8.420 -16.649 1.00 0.00 C ATOM 1728 CZ PHE A 111 -14.708 9.727 -16.198 1.00 0.00 C ATOM 0 H PHE A 111 -15.120 7.645 -10.990 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.275 7.323 -13.038 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.393 6.402 -12.762 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.480 5.603 -13.880 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -14.851 9.174 -12.845 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -15.286 6.376 -16.072 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -14.515 11.008 -14.477 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.946 8.210 -17.708 1.00 0.00 H new ATOM 0 HZ PHE A 111 -14.560 10.526 -16.909 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.088 4.758 -11.324 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.512 3.490 -10.664 1.00 0.00 C ATOM 1740 C ASP A 112 -15.322 2.530 -10.587 1.00 0.00 C ATOM 1741 O ASP A 112 -15.475 1.328 -10.679 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.639 2.843 -11.472 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.960 2.995 -10.716 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.942 2.879 -9.502 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.969 3.224 -11.364 1.00 0.00 O ATOM 0 H ASP A 112 -15.080 4.903 -11.378 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.868 3.708 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.713 3.312 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.422 1.788 -11.639 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.136 3.049 -10.416 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.940 2.163 -10.332 1.00 0.00 C ATOM 1752 C ILE A 113 -12.251 2.360 -8.981 1.00 0.00 C ATOM 1753 O ILE A 113 -12.670 3.163 -8.170 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.966 2.513 -11.459 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.662 4.013 -11.426 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.593 2.152 -12.805 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.827 4.390 -12.650 1.00 0.00 C ATOM 0 H ILE A 113 -13.944 4.047 -10.331 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.251 1.123 -10.431 1.00 0.00 H new ATOM 0 HB ILE A 113 -11.041 1.952 -11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.591 4.583 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.123 4.266 -10.513 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.899 2.401 -13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.809 1.084 -12.831 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.518 2.713 -12.938 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.610 5.458 -12.627 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.892 3.829 -12.639 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.383 4.152 -13.557 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.197 1.632 -8.731 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.483 1.776 -7.430 1.00 0.00 C ATOM 1771 C ILE A 114 -9.033 2.196 -7.686 1.00 0.00 C ATOM 1772 O ILE A 114 -8.235 1.433 -8.192 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.505 0.437 -6.689 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.459 0.453 -5.571 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.181 -0.693 -7.668 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.698 1.661 -4.664 1.00 0.00 C ATOM 0 H ILE A 114 -10.799 0.944 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.977 2.536 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.494 0.277 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.518 -0.468 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.457 0.498 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.197 -1.647 -7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.924 -0.707 -8.466 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.192 -0.531 -8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.953 1.672 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.617 2.577 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.695 1.596 -4.227 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.687 3.405 -7.339 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.290 3.872 -7.561 1.00 0.00 C ATOM 1790 C TYR A 115 -6.429 3.492 -6.355 1.00 0.00 C ATOM 1791 O TYR A 115 -6.747 3.813 -5.227 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.282 5.392 -7.737 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.884 5.917 -7.514 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -5.430 6.167 -6.214 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.044 6.155 -8.607 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -4.134 6.654 -6.006 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.747 6.642 -8.400 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.293 6.892 -7.099 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.015 7.373 -6.895 1.00 0.00 O ATOM 0 H TYR A 115 -9.311 4.089 -6.912 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.887 3.402 -8.458 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.625 5.655 -8.738 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.972 5.854 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.080 5.984 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -5.395 5.963 -9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.783 6.846 -5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.097 6.825 -9.243 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.652 7.706 -7.742 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.341 2.809 -6.582 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.463 2.408 -5.447 1.00 0.00 C ATOM 1811 C ASP A 116 -3.225 1.690 -5.992 1.00 0.00 C ATOM 1812 O ASP A 116 -3.157 0.478 -6.008 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.230 1.468 -4.516 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.316 1.025 -3.371 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.849 1.888 -2.645 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.101 -0.168 -3.239 1.00 0.00 O ATOM 0 H ASP A 116 -5.022 2.511 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.155 3.295 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.111 1.972 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.583 0.599 -5.070 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.245 2.429 -6.436 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.015 1.786 -6.976 1.00 0.00 C ATOM 1823 C GLY A 117 -0.259 2.781 -7.860 1.00 0.00 C ATOM 1824 O GLY A 117 -0.359 2.753 -9.070 1.00 0.00 O ATOM 0 H GLY A 117 -2.243 3.449 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.377 1.454 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.279 0.900 -7.553 1.00 0.00 H new ATOM 1828 N TRP A 118 0.501 3.660 -7.264 1.00 0.00 N ATOM 1829 CA TRP A 118 1.264 4.653 -8.071 1.00 0.00 C ATOM 1830 C TRP A 118 2.756 4.528 -7.754 1.00 0.00 C ATOM 1831 O TRP A 118 3.140 4.218 -6.643 1.00 0.00 O ATOM 1832 CB TRP A 118 0.773 6.069 -7.739 1.00 0.00 C ATOM 1833 CG TRP A 118 1.618 6.662 -6.653 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.366 6.562 -5.328 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.843 7.443 -6.779 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.357 7.231 -4.633 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.290 7.790 -5.483 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.601 7.877 -7.882 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.449 8.543 -5.286 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.768 8.635 -7.688 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.191 8.966 -6.393 1.00 0.00 C ATOM 0 H TRP A 118 0.626 3.733 -6.254 1.00 0.00 H new ATOM 0 HA TRP A 118 1.107 4.461 -9.132 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.817 6.696 -8.629 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.270 6.037 -7.423 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.528 6.044 -4.885 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.394 7.303 -3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.284 7.626 -8.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.770 8.797 -4.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.342 8.964 -8.541 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.090 9.548 -6.251 1.00 0.00 H new ATOM 1852 N GLY A 119 3.600 4.769 -8.720 1.00 0.00 N ATOM 1853 CA GLY A 119 5.066 4.664 -8.470 1.00 0.00 C ATOM 1854 C GLY A 119 5.828 5.396 -9.575 1.00 0.00 C ATOM 1855 O GLY A 119 5.255 5.833 -10.553 1.00 0.00 O ATOM 0 H GLY A 119 3.339 5.034 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.311 5.094 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.366 3.617 -8.440 1.00 0.00 H new ATOM 1859 N THR A 120 7.118 5.533 -9.429 1.00 0.00 N ATOM 1860 CA THR A 120 7.915 6.236 -10.474 1.00 0.00 C ATOM 1861 C THR A 120 9.214 5.468 -10.724 1.00 0.00 C ATOM 1862 O THR A 120 9.494 4.479 -10.077 1.00 0.00 O ATOM 1863 CB THR A 120 8.244 7.654 -10.001 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.408 8.116 -10.671 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.490 7.649 -8.491 1.00 0.00 C ATOM 0 H THR A 120 7.654 5.189 -8.632 1.00 0.00 H new ATOM 0 HA THR A 120 7.338 6.288 -11.397 1.00 0.00 H new ATOM 0 HB THR A 120 7.407 8.315 -10.226 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.172 8.398 -11.580 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.724 8.660 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.596 7.295 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.326 6.988 -8.261 1.00 0.00 H new ATOM 1873 N TYR A 121 10.007 5.915 -11.657 1.00 0.00 N ATOM 1874 CA TYR A 121 11.286 5.209 -11.946 1.00 0.00 C ATOM 1875 C TYR A 121 12.460 6.162 -11.717 1.00 0.00 C ATOM 1876 O TYR A 121 12.517 7.238 -12.278 1.00 0.00 O ATOM 1877 CB TYR A 121 11.288 4.736 -13.401 1.00 0.00 C ATOM 1878 CG TYR A 121 12.211 3.551 -13.547 1.00 0.00 C ATOM 1879 CD1 TYR A 121 13.591 3.750 -13.669 1.00 0.00 C ATOM 1880 CD2 TYR A 121 11.687 2.252 -13.560 1.00 0.00 C ATOM 1881 CE1 TYR A 121 14.447 2.651 -13.803 1.00 0.00 C ATOM 1882 CE2 TYR A 121 12.543 1.154 -13.695 1.00 0.00 C ATOM 1883 CZ TYR A 121 13.924 1.353 -13.816 1.00 0.00 C ATOM 1884 OH TYR A 121 14.768 0.270 -13.949 1.00 0.00 O ATOM 0 H TYR A 121 9.825 6.738 -12.232 1.00 0.00 H new ATOM 0 HA TYR A 121 11.384 4.349 -11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.278 4.463 -13.706 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.612 5.545 -14.056 1.00 0.00 H new ATOM 0 HD1 TYR A 121 13.995 4.751 -13.660 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.622 2.098 -13.466 1.00 0.00 H new ATOM 0 HE1 TYR A 121 15.512 2.805 -13.896 1.00 0.00 H new ATOM 0 HE2 TYR A 121 12.139 0.153 -13.706 1.00 0.00 H new ATOM 0 HH TYR A 121 14.243 -0.557 -13.938 1.00 0.00 H new