USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 826 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 124 LYS NZ :NH3+ -123:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -160:sc= -0.0306 (180deg=-0.462) USER MOD Set 2.2: A 14 GLN : amide:sc= -0.206 K(o=-0.24,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -1.65! (180deg=-2.47!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0574 K(o=-0.057,f=-1.1) USER MOD Single : A 31 SER OG : rot 25:sc= 0.2 USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= -0.0977 (180deg=-0.478) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= -0.509 (180deg=-0.509) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.316 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 44 ASN : amide:sc= -0.0158 K(o=-0.016,f=-0.67) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 22:sc= 0.222 USER MOD Single : A 55 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=-0.17) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -1.84! X(o=-1.8!,f=-1.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 70 THR OG1 : rot 25:sc= 1.11 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0328 (180deg=-0.0328) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0109 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.66) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.0086 (180deg=-0.813) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0705 K(o=-0.071,f=-0.73) USER MOD Single : A 122 MET CE :methyl -151:sc= -0.0324 (180deg=-1.26) USER MOD Single : A 123 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.8!) USER MOD Single : A 130 TYR OH : rot 30:sc= -0.0586 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.575 -9.205 2.774 1.00 0.00 N ATOM 145 CA LYS A 13 -6.544 -10.180 3.108 1.00 0.00 C ATOM 146 C LYS A 13 -5.161 -9.537 3.091 1.00 0.00 C ATOM 147 O LYS A 13 -4.355 -9.756 3.995 1.00 0.00 O ATOM 148 CB LYS A 13 -6.584 -11.352 2.124 1.00 0.00 C ATOM 149 CG LYS A 13 -5.655 -12.494 2.500 1.00 0.00 C ATOM 150 CD LYS A 13 -6.122 -13.811 1.904 1.00 0.00 C ATOM 151 CE LYS A 13 -5.561 -14.020 0.506 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.350 -13.287 -0.523 1.00 0.00 N ATOM 0 HA LYS A 13 -6.742 -10.550 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.605 -11.730 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.318 -10.991 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.646 -12.273 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.605 -12.582 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.812 -14.634 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.211 -13.829 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.525 -13.684 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.558 -15.084 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.170 -13.702 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.363 -13.360 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.068 -12.286 -0.528 1.00 0.00 H new ATOM 166 N GLN A 14 -4.895 -8.742 2.060 1.00 0.00 N ATOM 167 CA GLN A 14 -3.609 -8.067 1.928 1.00 0.00 C ATOM 168 C GLN A 14 -3.418 -7.039 3.037 1.00 0.00 C ATOM 169 O GLN A 14 -2.393 -7.030 3.721 1.00 0.00 O ATOM 170 CB GLN A 14 -3.504 -7.386 0.562 1.00 0.00 C ATOM 171 CG GLN A 14 -3.222 -8.351 -0.579 1.00 0.00 C ATOM 172 CD GLN A 14 -4.352 -9.336 -0.803 1.00 0.00 C ATOM 173 OE1 GLN A 14 -5.513 -9.044 -0.514 1.00 0.00 O ATOM 174 NE2 GLN A 14 -4.018 -10.512 -1.322 1.00 0.00 N ATOM 0 H GLN A 14 -5.552 -8.549 1.304 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.823 -8.817 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.434 -6.856 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.712 -6.638 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.052 -7.785 -1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.304 -8.899 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.043 -10.712 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.736 -11.215 -1.496 1.00 0.00 H new ATOM 183 N LEU A 15 -4.410 -6.173 3.212 1.00 0.00 N ATOM 184 CA LEU A 15 -4.352 -5.139 4.239 1.00 0.00 C ATOM 185 C LEU A 15 -3.667 -5.661 5.499 1.00 0.00 C ATOM 186 O LEU A 15 -2.664 -5.107 5.948 1.00 0.00 O ATOM 187 CB LEU A 15 -5.760 -4.647 4.577 1.00 0.00 C ATOM 188 CG LEU A 15 -6.589 -4.126 3.402 1.00 0.00 C ATOM 189 CD1 LEU A 15 -7.979 -3.722 3.868 1.00 0.00 C ATOM 190 CD2 LEU A 15 -5.887 -2.954 2.733 1.00 0.00 C ATOM 0 H LEU A 15 -5.265 -6.166 2.655 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.768 -4.306 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.306 -5.465 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.677 -3.852 5.318 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.692 -4.927 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.555 -3.354 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.483 -4.586 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.897 -2.936 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.491 -2.596 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.753 -2.149 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.913 -3.276 2.364 1.00 0.00 H new ATOM 202 N LYS A 16 -4.216 -6.731 6.063 1.00 0.00 N ATOM 203 CA LYS A 16 -3.657 -7.331 7.269 1.00 0.00 C ATOM 204 C LYS A 16 -2.245 -7.848 7.015 1.00 0.00 C ATOM 205 O LYS A 16 -1.396 -7.827 7.907 1.00 0.00 O ATOM 206 CB LYS A 16 -4.551 -8.475 7.755 1.00 0.00 C ATOM 207 CG LYS A 16 -4.550 -9.681 6.833 1.00 0.00 C ATOM 208 CD LYS A 16 -4.966 -10.945 7.567 1.00 0.00 C ATOM 209 CE LYS A 16 -4.351 -12.185 6.936 1.00 0.00 C ATOM 210 NZ LYS A 16 -5.214 -12.745 5.860 1.00 0.00 N ATOM 0 H LYS A 16 -5.047 -7.201 5.705 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.610 -6.562 8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.222 -8.786 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.572 -8.108 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.229 -9.503 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.555 -9.816 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.661 -10.878 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.053 -11.032 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.373 -11.936 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.191 -12.942 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.631 -13.298 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.939 -13.361 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.676 -11.968 5.346 1.00 0.00 H new ATOM 224 N VAL A 17 -1.999 -8.311 5.794 1.00 0.00 N ATOM 225 CA VAL A 17 -0.689 -8.831 5.422 1.00 0.00 C ATOM 226 C VAL A 17 0.350 -7.716 5.369 1.00 0.00 C ATOM 227 O VAL A 17 1.522 -7.929 5.682 1.00 0.00 O ATOM 228 CB VAL A 17 -0.733 -9.541 4.056 1.00 0.00 C ATOM 229 CG1 VAL A 17 0.640 -10.084 3.691 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.769 -10.655 4.069 1.00 0.00 C ATOM 0 H VAL A 17 -2.691 -8.337 5.045 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.406 -9.552 6.189 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.023 -8.814 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.589 -10.582 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.354 -9.262 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.963 -10.797 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.787 -11.146 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.511 -11.383 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.752 -10.235 4.282 1.00 0.00 H new ATOM 240 N LEU A 18 -0.087 -6.527 4.971 1.00 0.00 N ATOM 241 CA LEU A 18 0.805 -5.376 4.877 1.00 0.00 C ATOM 242 C LEU A 18 1.222 -4.896 6.264 1.00 0.00 C ATOM 243 O LEU A 18 2.395 -4.974 6.632 1.00 0.00 O ATOM 244 CB LEU A 18 0.123 -4.238 4.115 1.00 0.00 C ATOM 245 CG LEU A 18 -0.032 -4.438 2.607 1.00 0.00 C ATOM 246 CD1 LEU A 18 -1.156 -3.569 2.066 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.275 -4.130 1.892 1.00 0.00 C ATOM 0 H LEU A 18 -1.053 -6.334 4.708 1.00 0.00 H new ATOM 0 HA LEU A 18 1.699 -5.684 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.867 -4.082 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.691 -3.323 4.283 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.287 -5.481 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.251 -3.725 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.092 -3.838 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.932 -2.520 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.147 -4.278 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.560 -3.096 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.056 -4.796 2.259 1.00 0.00 H new ATOM 259 N LEU A 19 0.256 -4.402 7.029 1.00 0.00 N ATOM 260 CA LEU A 19 0.522 -3.911 8.377 1.00 0.00 C ATOM 261 C LEU A 19 1.496 -4.830 9.108 1.00 0.00 C ATOM 262 O LEU A 19 2.500 -4.376 9.657 1.00 0.00 O ATOM 263 CB LEU A 19 -0.783 -3.800 9.167 1.00 0.00 C ATOM 264 CG LEU A 19 -1.798 -2.782 8.646 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.145 -2.976 9.327 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.290 -1.364 8.860 1.00 0.00 C ATOM 0 H LEU A 19 -0.719 -4.330 6.739 1.00 0.00 H new ATOM 0 HA LEU A 19 0.975 -2.923 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.258 -4.781 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.539 -3.545 10.198 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.928 -2.942 7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.855 -2.243 8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.515 -3.981 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.031 -2.843 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.025 -0.653 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.131 -1.191 9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.349 -1.230 8.326 1.00 0.00 H new ATOM 278 N SER A 20 1.194 -6.124 9.109 1.00 0.00 N ATOM 279 CA SER A 20 2.042 -7.107 9.773 1.00 0.00 C ATOM 280 C SER A 20 3.514 -6.849 9.468 1.00 0.00 C ATOM 281 O SER A 20 4.370 -6.959 10.345 1.00 0.00 O ATOM 282 CB SER A 20 1.658 -8.522 9.336 1.00 0.00 C ATOM 283 OG SER A 20 2.390 -9.495 10.060 1.00 0.00 O ATOM 0 H SER A 20 0.368 -6.516 8.657 1.00 0.00 H new ATOM 0 HA SER A 20 1.891 -7.014 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.590 -8.676 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.846 -8.640 8.269 1.00 0.00 H new ATOM 0 HG SER A 20 2.125 -10.391 9.764 1.00 0.00 H new ATOM 289 N GLY A 21 3.801 -6.506 8.216 1.00 0.00 N ATOM 290 CA GLY A 21 5.170 -6.238 7.815 1.00 0.00 C ATOM 291 C GLY A 21 5.975 -7.507 7.616 1.00 0.00 C ATOM 292 O GLY A 21 5.802 -8.481 8.349 1.00 0.00 O ATOM 0 H GLY A 21 3.110 -6.409 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.168 -5.664 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.653 -5.620 8.572 1.00 0.00 H new ATOM 296 N ALA A 22 6.856 -7.497 6.621 1.00 0.00 N ATOM 297 CA ALA A 22 7.690 -8.656 6.328 1.00 0.00 C ATOM 298 C ALA A 22 9.163 -8.267 6.254 1.00 0.00 C ATOM 299 O ALA A 22 9.502 -7.084 6.200 1.00 0.00 O ATOM 300 CB ALA A 22 7.248 -9.309 5.027 1.00 0.00 C ATOM 0 H ALA A 22 7.011 -6.699 6.004 1.00 0.00 H new ATOM 0 HA ALA A 22 7.571 -9.373 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.880 -10.173 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.210 -9.631 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.337 -8.592 4.211 1.00 0.00 H new ATOM 306 N THR A 23 10.036 -9.270 6.251 1.00 0.00 N ATOM 307 CA THR A 23 11.472 -9.033 6.185 1.00 0.00 C ATOM 308 C THR A 23 11.944 -8.917 4.740 1.00 0.00 C ATOM 309 O THR A 23 11.450 -9.619 3.857 1.00 0.00 O ATOM 310 CB THR A 23 12.260 -10.158 6.882 1.00 0.00 C ATOM 311 OG1 THR A 23 11.728 -10.390 8.191 1.00 0.00 O ATOM 312 CG2 THR A 23 13.735 -9.802 6.984 1.00 0.00 C ATOM 0 H THR A 23 9.773 -10.255 6.294 1.00 0.00 H new ATOM 0 HA THR A 23 11.661 -8.093 6.703 1.00 0.00 H new ATOM 0 HB THR A 23 12.162 -11.065 6.285 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.233 -11.108 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.271 -10.611 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.144 -9.655 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.849 -8.884 7.561 1.00 0.00 H new ATOM 320 N PHE A 24 12.904 -8.028 4.505 1.00 0.00 N ATOM 321 CA PHE A 24 13.443 -7.821 3.166 1.00 0.00 C ATOM 322 C PHE A 24 14.896 -7.362 3.230 1.00 0.00 C ATOM 323 O PHE A 24 15.352 -6.844 4.251 1.00 0.00 O ATOM 324 CB PHE A 24 12.603 -6.789 2.409 1.00 0.00 C ATOM 325 CG PHE A 24 11.164 -7.189 2.249 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.801 -8.165 1.335 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.176 -6.589 3.011 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.477 -8.534 1.185 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.850 -6.954 2.866 1.00 0.00 C ATOM 330 CZ PHE A 24 8.501 -7.929 1.952 1.00 0.00 C ATOM 0 H PHE A 24 13.324 -7.440 5.224 1.00 0.00 H new ATOM 0 HA PHE A 24 13.404 -8.772 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.651 -5.836 2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.039 -6.630 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.560 -8.643 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.444 -5.827 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.206 -9.295 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.089 -6.478 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.467 -8.218 1.837 1.00 0.00 H new ATOM 340 N LEU A 25 15.620 -7.556 2.133 1.00 0.00 N ATOM 341 CA LEU A 25 17.024 -7.163 2.063 1.00 0.00 C ATOM 342 C LEU A 25 17.182 -5.836 1.327 1.00 0.00 C ATOM 343 O LEU A 25 17.035 -5.771 0.106 1.00 0.00 O ATOM 344 CB LEU A 25 17.844 -8.248 1.364 1.00 0.00 C ATOM 345 CG LEU A 25 18.197 -9.472 2.210 1.00 0.00 C ATOM 346 CD1 LEU A 25 18.848 -10.545 1.350 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.112 -9.079 3.360 1.00 0.00 C ATOM 0 H LEU A 25 15.259 -7.983 1.280 1.00 0.00 H new ATOM 0 HA LEU A 25 17.392 -7.038 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.291 -8.585 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.770 -7.800 1.005 1.00 0.00 H new ATOM 0 HG LEU A 25 17.276 -9.880 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.092 -11.408 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.159 -10.847 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.760 -10.149 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.353 -9.962 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.030 -8.647 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.609 -8.346 3.991 1.00 0.00 H new ATOM 359 N VAL A 26 17.484 -4.781 2.077 1.00 0.00 N ATOM 360 CA VAL A 26 17.665 -3.457 1.495 1.00 0.00 C ATOM 361 C VAL A 26 19.131 -3.198 1.164 1.00 0.00 C ATOM 362 O VAL A 26 20.009 -3.356 2.013 1.00 0.00 O ATOM 363 CB VAL A 26 17.162 -2.353 2.445 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.208 -0.996 1.759 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.755 -2.668 2.928 1.00 0.00 C ATOM 0 H VAL A 26 17.608 -4.818 3.089 1.00 0.00 H new ATOM 0 HA VAL A 26 17.078 -3.432 0.577 1.00 0.00 H new ATOM 0 HB VAL A 26 17.820 -2.316 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.849 -0.229 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.234 -0.770 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.574 -1.015 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.415 -1.878 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.083 -2.733 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.757 -3.619 3.460 1.00 0.00 H new ATOM 375 N THR A 27 19.390 -2.798 -0.077 1.00 0.00 N ATOM 376 CA THR A 27 20.749 -2.517 -0.522 1.00 0.00 C ATOM 377 C THR A 27 20.913 -1.049 -0.897 1.00 0.00 C ATOM 378 O THR A 27 20.100 -0.492 -1.635 1.00 0.00 O ATOM 379 CB THR A 27 21.136 -3.391 -1.730 1.00 0.00 C ATOM 380 OG1 THR A 27 20.522 -4.680 -1.620 1.00 0.00 O ATOM 381 CG2 THR A 27 22.646 -3.549 -1.822 1.00 0.00 C ATOM 0 H THR A 27 18.676 -2.661 -0.792 1.00 0.00 H new ATOM 0 HA THR A 27 21.410 -2.751 0.313 1.00 0.00 H new ATOM 0 HB THR A 27 20.782 -2.897 -2.635 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.772 -5.228 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.895 -4.170 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.108 -2.568 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.018 -4.022 -0.913 1.00 0.00 H new ATOM 389 N PHE A 28 21.969 -0.427 -0.385 1.00 0.00 N ATOM 390 CA PHE A 28 22.239 0.979 -0.666 1.00 0.00 C ATOM 391 C PHE A 28 23.368 1.122 -1.683 1.00 0.00 C ATOM 392 O PHE A 28 24.275 0.293 -1.741 1.00 0.00 O ATOM 393 CB PHE A 28 22.601 1.719 0.623 1.00 0.00 C ATOM 394 CG PHE A 28 21.474 1.785 1.613 1.00 0.00 C ATOM 395 CD1 PHE A 28 20.380 2.604 1.383 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.507 1.028 2.773 1.00 0.00 C ATOM 397 CE1 PHE A 28 19.341 2.667 2.293 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.471 1.087 3.686 1.00 0.00 C ATOM 399 CZ PHE A 28 19.386 1.907 3.445 1.00 0.00 C ATOM 0 H PHE A 28 22.652 -0.874 0.227 1.00 0.00 H new ATOM 0 HA PHE A 28 21.336 1.420 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.454 1.226 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.915 2.733 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.339 3.200 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 28 22.352 0.384 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 28 18.495 3.310 2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.510 0.493 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.574 1.954 4.156 1.00 0.00 H new ATOM 409 N GLY A 29 23.305 2.182 -2.483 1.00 0.00 N ATOM 410 CA GLY A 29 24.327 2.415 -3.487 1.00 0.00 C ATOM 411 C GLY A 29 25.720 2.479 -2.893 1.00 0.00 C ATOM 412 O GLY A 29 26.710 2.278 -3.593 1.00 0.00 O ATOM 0 H GLY A 29 22.565 2.883 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.289 1.619 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.114 3.349 -4.008 1.00 0.00 H new ATOM 416 N ASN A 30 25.796 2.763 -1.596 1.00 0.00 N ATOM 417 CA ASN A 30 27.078 2.855 -0.908 1.00 0.00 C ATOM 418 C ASN A 30 27.547 1.480 -0.445 1.00 0.00 C ATOM 419 O ASN A 30 28.745 1.194 -0.429 1.00 0.00 O ATOM 420 CB ASN A 30 26.971 3.800 0.290 1.00 0.00 C ATOM 421 CG ASN A 30 26.981 5.260 -0.121 1.00 0.00 C ATOM 422 OD1 ASN A 30 27.659 5.642 -1.075 1.00 0.00 O ATOM 423 ND2 ASN A 30 26.228 6.083 0.599 1.00 0.00 N ATOM 0 H ASN A 30 24.985 2.933 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 30 27.811 3.251 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.053 3.586 0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 30 27.800 3.612 0.972 1.00 0.00 H new ATOM 0 HD21 ASN A 30 26.195 7.076 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 30 25.682 5.722 1.381 1.00 0.00 H new ATOM 430 N SER A 31 26.596 0.631 -0.069 1.00 0.00 N ATOM 431 CA SER A 31 26.911 -0.714 0.398 1.00 0.00 C ATOM 432 C SER A 31 26.685 -1.740 -0.709 1.00 0.00 C ATOM 433 O SER A 31 25.640 -1.746 -1.359 1.00 0.00 O ATOM 434 CB SER A 31 26.058 -1.066 1.618 1.00 0.00 C ATOM 435 OG SER A 31 24.691 -1.192 1.265 1.00 0.00 O ATOM 0 H SER A 31 25.600 0.851 -0.079 1.00 0.00 H new ATOM 0 HA SER A 31 27.963 -0.737 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 31 26.411 -2.000 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 31 26.171 -0.294 2.379 1.00 0.00 H new ATOM 0 HG SER A 31 24.618 -1.422 0.315 1.00 0.00 H new ATOM 441 N GLU A 32 27.672 -2.605 -0.915 1.00 0.00 N ATOM 442 CA GLU A 32 27.582 -3.635 -1.944 1.00 0.00 C ATOM 443 C GLU A 32 26.863 -4.872 -1.412 1.00 0.00 C ATOM 444 O GLU A 32 26.394 -5.711 -2.182 1.00 0.00 O ATOM 445 CB GLU A 32 28.978 -4.017 -2.439 1.00 0.00 C ATOM 446 CG GLU A 32 29.766 -2.845 -3.001 1.00 0.00 C ATOM 447 CD GLU A 32 30.893 -3.285 -3.915 1.00 0.00 C ATOM 448 OE1 GLU A 32 30.610 -3.632 -5.080 1.00 0.00 O ATOM 449 OE2 GLU A 32 32.058 -3.282 -3.465 1.00 0.00 O ATOM 0 H GLU A 32 28.543 -2.614 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 32 27.008 -3.231 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 32 29.538 -4.459 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 28.885 -4.784 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 32 29.092 -2.189 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 32 30.178 -2.261 -2.178 1.00 0.00 H new ATOM 456 N LYS A 33 26.780 -4.979 -0.091 1.00 0.00 N ATOM 457 CA LYS A 33 26.119 -6.112 0.546 1.00 0.00 C ATOM 458 C LYS A 33 24.761 -5.703 1.108 1.00 0.00 C ATOM 459 O LYS A 33 24.605 -4.641 1.710 1.00 0.00 O ATOM 460 CB LYS A 33 26.996 -6.678 1.665 1.00 0.00 C ATOM 461 CG LYS A 33 26.206 -7.332 2.785 1.00 0.00 C ATOM 462 CD LYS A 33 27.031 -8.381 3.511 1.00 0.00 C ATOM 463 CE LYS A 33 27.000 -9.717 2.783 1.00 0.00 C ATOM 464 NZ LYS A 33 25.639 -10.321 2.792 1.00 0.00 N ATOM 0 H LYS A 33 27.163 -4.294 0.561 1.00 0.00 H new ATOM 0 HA LYS A 33 25.964 -6.882 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.684 -7.410 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.603 -5.874 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.879 -6.571 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.307 -7.794 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.062 -8.038 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.649 -8.509 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 33 27.329 -9.577 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 33 27.705 -10.403 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.718 -11.355 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.099 -9.948 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.148 -10.083 1.907 1.00 0.00 H new ATOM 478 N PRO A 34 23.753 -6.566 0.909 1.00 0.00 N ATOM 479 CA PRO A 34 22.391 -6.317 1.390 1.00 0.00 C ATOM 480 C PRO A 34 22.289 -6.397 2.909 1.00 0.00 C ATOM 481 O PRO A 34 23.161 -6.961 3.570 1.00 0.00 O ATOM 482 CB PRO A 34 21.575 -7.437 0.740 1.00 0.00 C ATOM 483 CG PRO A 34 22.558 -8.530 0.497 1.00 0.00 C ATOM 484 CD PRO A 34 23.866 -7.852 0.199 1.00 0.00 C ATOM 0 HA PRO A 34 22.045 -5.315 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.768 -7.769 1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.116 -7.103 -0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.644 -9.178 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.245 -9.158 -0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.713 -8.437 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.010 -7.709 -0.872 1.00 0.00 H new ATOM 492 N GLU A 35 21.219 -5.829 3.457 1.00 0.00 N ATOM 493 CA GLU A 35 21.005 -5.836 4.899 1.00 0.00 C ATOM 494 C GLU A 35 19.575 -6.250 5.235 1.00 0.00 C ATOM 495 O GLU A 35 18.624 -5.831 4.576 1.00 0.00 O ATOM 496 CB GLU A 35 21.299 -4.455 5.488 1.00 0.00 C ATOM 497 CG GLU A 35 21.017 -4.355 6.978 1.00 0.00 C ATOM 498 CD GLU A 35 21.199 -2.948 7.513 1.00 0.00 C ATOM 499 OE1 GLU A 35 21.960 -2.174 6.897 1.00 0.00 O ATOM 500 OE2 GLU A 35 20.582 -2.622 8.548 1.00 0.00 O ATOM 0 H GLU A 35 20.487 -5.359 2.924 1.00 0.00 H new ATOM 0 HA GLU A 35 21.688 -6.563 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.345 -4.208 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.700 -3.711 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 35 19.997 -4.685 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 35 21.680 -5.033 7.516 1.00 0.00 H new ATOM 507 N THR A 36 19.432 -7.078 6.266 1.00 0.00 N ATOM 508 CA THR A 36 18.120 -7.551 6.689 1.00 0.00 C ATOM 509 C THR A 36 17.367 -6.470 7.457 1.00 0.00 C ATOM 510 O THR A 36 17.806 -6.032 8.520 1.00 0.00 O ATOM 511 CB THR A 36 18.234 -8.808 7.572 1.00 0.00 C ATOM 512 OG1 THR A 36 19.218 -9.697 7.033 1.00 0.00 O ATOM 513 CG2 THR A 36 16.895 -9.523 7.670 1.00 0.00 C ATOM 0 H THR A 36 20.209 -7.434 6.823 1.00 0.00 H new ATOM 0 HA THR A 36 17.567 -7.801 5.784 1.00 0.00 H new ATOM 0 HB THR A 36 18.536 -8.497 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.286 -10.493 7.601 1.00 0.00 H new ATOM 0 HG21 THR A 36 17.000 -10.407 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.156 -8.852 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.569 -9.822 6.674 1.00 0.00 H new ATOM 521 N MET A 37 16.231 -6.046 6.912 1.00 0.00 N ATOM 522 CA MET A 37 15.417 -5.017 7.549 1.00 0.00 C ATOM 523 C MET A 37 13.942 -5.405 7.533 1.00 0.00 C ATOM 524 O MET A 37 13.564 -6.428 6.961 1.00 0.00 O ATOM 525 CB MET A 37 15.611 -3.674 6.843 1.00 0.00 C ATOM 526 CG MET A 37 17.018 -3.115 6.977 1.00 0.00 C ATOM 527 SD MET A 37 17.168 -1.445 6.313 1.00 0.00 S ATOM 528 CE MET A 37 17.678 -0.545 7.775 1.00 0.00 C ATOM 0 H MET A 37 15.854 -6.398 6.032 1.00 0.00 H new ATOM 0 HA MET A 37 15.739 -4.924 8.586 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.375 -3.791 5.785 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.902 -2.953 7.250 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.304 -3.111 8.029 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.717 -3.772 6.459 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.812 0.508 7.526 1.00 0.00 H new ATOM 0 HE2 MET A 37 16.914 -0.641 8.546 1.00 0.00 H new ATOM 0 HE3 MET A 37 18.619 -0.954 8.144 1.00 0.00 H new ATOM 538 N THR A 38 13.111 -4.582 8.165 1.00 0.00 N ATOM 539 CA THR A 38 11.678 -4.839 8.224 1.00 0.00 C ATOM 540 C THR A 38 10.887 -3.695 7.600 1.00 0.00 C ATOM 541 O THR A 38 11.028 -2.539 8.001 1.00 0.00 O ATOM 542 CB THR A 38 11.203 -5.044 9.675 1.00 0.00 C ATOM 543 OG1 THR A 38 12.089 -5.938 10.359 1.00 0.00 O ATOM 544 CG2 THR A 38 9.788 -5.601 9.709 1.00 0.00 C ATOM 0 H THR A 38 13.407 -3.731 8.644 1.00 0.00 H new ATOM 0 HA THR A 38 11.498 -5.753 7.658 1.00 0.00 H new ATOM 0 HB THR A 38 11.207 -4.075 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.781 -6.062 11.281 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.475 -5.737 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.111 -4.905 9.214 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.762 -6.561 9.193 1.00 0.00 H new ATOM 552 N CYS A 39 10.055 -4.024 6.618 1.00 0.00 N ATOM 553 CA CYS A 39 9.241 -3.023 5.939 1.00 0.00 C ATOM 554 C CYS A 39 7.758 -3.247 6.217 1.00 0.00 C ATOM 555 O CYS A 39 7.212 -4.306 5.908 1.00 0.00 O ATOM 556 CB CYS A 39 9.501 -3.061 4.432 1.00 0.00 C ATOM 557 SG CYS A 39 11.245 -2.913 3.980 1.00 0.00 S ATOM 0 H CYS A 39 9.927 -4.976 6.275 1.00 0.00 H new ATOM 0 HA CYS A 39 9.520 -2.042 6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.111 -3.996 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.944 -2.253 3.958 1.00 0.00 H new ATOM 0 HG CYS A 39 11.363 -2.958 2.686 1.00 0.00 H new ATOM 563 N ARG A 40 7.113 -2.244 6.804 1.00 0.00 N ATOM 564 CA ARG A 40 5.694 -2.333 7.126 1.00 0.00 C ATOM 565 C ARG A 40 4.989 -1.009 6.848 1.00 0.00 C ATOM 566 O ARG A 40 5.635 0.018 6.635 1.00 0.00 O ATOM 567 CB ARG A 40 5.507 -2.724 8.593 1.00 0.00 C ATOM 568 CG ARG A 40 5.770 -1.586 9.566 1.00 0.00 C ATOM 569 CD ARG A 40 5.756 -2.070 11.007 1.00 0.00 C ATOM 570 NE ARG A 40 4.397 -2.211 11.524 1.00 0.00 N ATOM 571 CZ ARG A 40 4.116 -2.420 12.805 1.00 0.00 C ATOM 572 NH1 ARG A 40 5.094 -2.513 13.695 1.00 0.00 N ATOM 573 NH2 ARG A 40 2.854 -2.537 13.198 1.00 0.00 N ATOM 0 H ARG A 40 7.551 -1.361 7.066 1.00 0.00 H new ATOM 0 HA ARG A 40 5.250 -3.101 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.489 -3.085 8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.175 -3.553 8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.735 -1.131 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.015 -0.811 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.270 -3.029 11.072 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.310 -1.368 11.630 1.00 0.00 H new ATOM 0 HE ARG A 40 3.621 -2.145 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.065 -2.424 13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.875 -2.674 14.678 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.099 -2.466 12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.639 -2.698 14.182 1.00 0.00 H new ATOM 587 N LEU A 41 3.661 -1.039 6.850 1.00 0.00 N ATOM 588 CA LEU A 41 2.868 0.158 6.598 1.00 0.00 C ATOM 589 C LEU A 41 2.281 0.707 7.895 1.00 0.00 C ATOM 590 O LEU A 41 2.156 -0.014 8.884 1.00 0.00 O ATOM 591 CB LEU A 41 1.744 -0.150 5.607 1.00 0.00 C ATOM 592 CG LEU A 41 2.083 0.036 4.128 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.074 -0.691 3.253 1.00 0.00 C ATOM 594 CD2 LEU A 41 2.131 1.515 3.774 1.00 0.00 C ATOM 0 H LEU A 41 3.111 -1.880 7.024 1.00 0.00 H new ATOM 0 HA LEU A 41 3.525 0.915 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.425 -1.181 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.892 0.486 5.846 1.00 0.00 H new ATOM 0 HG LEU A 41 3.068 -0.393 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.332 -0.547 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.089 -1.755 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.077 -0.292 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.374 1.629 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.160 1.969 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.893 2.009 4.376 1.00 0.00 H new ATOM 606 N SER A 42 1.921 1.986 7.881 1.00 0.00 N ATOM 607 CA SER A 42 1.349 2.632 9.056 1.00 0.00 C ATOM 608 C SER A 42 -0.140 2.324 9.174 1.00 0.00 C ATOM 609 O SER A 42 -0.723 1.679 8.303 1.00 0.00 O ATOM 610 CB SER A 42 1.565 4.145 8.989 1.00 0.00 C ATOM 611 OG SER A 42 0.869 4.711 7.892 1.00 0.00 O ATOM 0 H SER A 42 2.015 2.596 7.069 1.00 0.00 H new ATOM 0 HA SER A 42 1.855 2.239 9.938 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.225 4.606 9.916 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.630 4.360 8.898 1.00 0.00 H new ATOM 0 HG SER A 42 1.022 5.679 7.872 1.00 0.00 H new ATOM 617 N ASN A 43 -0.751 2.790 10.259 1.00 0.00 N ATOM 618 CA ASN A 43 -2.172 2.565 10.493 1.00 0.00 C ATOM 619 C ASN A 43 -2.980 2.828 9.226 1.00 0.00 C ATOM 620 O ASN A 43 -3.741 1.973 8.774 1.00 0.00 O ATOM 621 CB ASN A 43 -2.673 3.463 11.626 1.00 0.00 C ATOM 622 CG ASN A 43 -4.101 3.147 12.026 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.472 1.984 12.180 1.00 0.00 O ATOM 624 ND2 ASN A 43 -4.911 4.186 12.195 1.00 0.00 N ATOM 0 H ASN A 43 -0.283 3.326 10.990 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.307 1.522 10.779 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.022 3.347 12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.608 4.506 11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.884 4.036 12.463 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.560 5.134 12.057 1.00 0.00 H new ATOM 631 N ASN A 44 -2.809 4.017 8.658 1.00 0.00 N ATOM 632 CA ASN A 44 -3.522 4.394 7.442 1.00 0.00 C ATOM 633 C ASN A 44 -2.762 3.936 6.202 1.00 0.00 C ATOM 634 O ASN A 44 -3.238 4.092 5.078 1.00 0.00 O ATOM 635 CB ASN A 44 -3.730 5.909 7.397 1.00 0.00 C ATOM 636 CG ASN A 44 -4.979 6.298 6.630 1.00 0.00 C ATOM 637 OD1 ASN A 44 -5.529 5.500 5.871 1.00 0.00 O ATOM 638 ND2 ASN A 44 -5.432 7.531 6.824 1.00 0.00 N ATOM 0 H ASN A 44 -2.183 4.736 9.020 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.494 3.901 7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.797 6.294 8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.862 6.379 6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.268 7.850 6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.944 8.159 7.463 1.00 0.00 H new ATOM 645 N GLN A 45 -1.578 3.370 6.415 1.00 0.00 N ATOM 646 CA GLN A 45 -0.752 2.890 5.313 1.00 0.00 C ATOM 647 C GLN A 45 -0.377 4.033 4.376 1.00 0.00 C ATOM 648 O GLN A 45 -0.218 3.834 3.171 1.00 0.00 O ATOM 649 CB GLN A 45 -1.487 1.797 4.536 1.00 0.00 C ATOM 650 CG GLN A 45 -1.899 0.612 5.394 1.00 0.00 C ATOM 651 CD GLN A 45 -3.081 -0.143 4.818 1.00 0.00 C ATOM 652 OE1 GLN A 45 -3.273 -0.184 3.602 1.00 0.00 O ATOM 653 NE2 GLN A 45 -3.880 -0.747 5.690 1.00 0.00 N ATOM 0 H GLN A 45 -1.170 3.233 7.340 1.00 0.00 H new ATOM 0 HA GLN A 45 0.164 2.474 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.376 2.227 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.846 1.444 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.054 -0.068 5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.150 0.963 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.683 -0.687 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.691 -1.271 5.361 1.00 0.00 H new ATOM 662 N ARG A 46 -0.236 5.230 4.936 1.00 0.00 N ATOM 663 CA ARG A 46 0.119 6.405 4.150 1.00 0.00 C ATOM 664 C ARG A 46 1.621 6.664 4.208 1.00 0.00 C ATOM 665 O ARG A 46 2.114 7.646 3.653 1.00 0.00 O ATOM 666 CB ARG A 46 -0.641 7.632 4.656 1.00 0.00 C ATOM 667 CG ARG A 46 -1.999 7.821 4.000 1.00 0.00 C ATOM 668 CD ARG A 46 -2.751 8.997 4.604 1.00 0.00 C ATOM 669 NE ARG A 46 -3.705 9.578 3.664 1.00 0.00 N ATOM 670 CZ ARG A 46 -3.347 10.227 2.561 1.00 0.00 C ATOM 671 NH1 ARG A 46 -2.063 10.376 2.263 1.00 0.00 N ATOM 672 NH2 ARG A 46 -4.273 10.728 1.754 1.00 0.00 N ATOM 0 H ARG A 46 -0.362 5.411 5.932 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.160 6.216 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.777 7.546 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.036 8.521 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.868 7.982 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.590 6.912 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.279 8.668 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.039 9.761 4.916 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.700 9.481 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.348 9.992 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.791 10.874 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.261 10.615 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.997 11.226 0.908 1.00 0.00 H new ATOM 686 N TYR A 47 2.343 5.777 4.884 1.00 0.00 N ATOM 687 CA TYR A 47 3.789 5.912 5.017 1.00 0.00 C ATOM 688 C TYR A 47 4.435 4.565 5.328 1.00 0.00 C ATOM 689 O TYR A 47 3.832 3.708 5.976 1.00 0.00 O ATOM 690 CB TYR A 47 4.130 6.919 6.117 1.00 0.00 C ATOM 691 CG TYR A 47 3.434 8.251 5.953 1.00 0.00 C ATOM 692 CD1 TYR A 47 2.172 8.469 6.491 1.00 0.00 C ATOM 693 CD2 TYR A 47 4.040 9.293 5.262 1.00 0.00 C ATOM 694 CE1 TYR A 47 1.533 9.685 6.344 1.00 0.00 C ATOM 695 CE2 TYR A 47 3.409 10.513 5.111 1.00 0.00 C ATOM 696 CZ TYR A 47 2.155 10.704 5.654 1.00 0.00 C ATOM 697 OH TYR A 47 1.522 11.917 5.506 1.00 0.00 O ATOM 0 H TYR A 47 1.951 4.958 5.348 1.00 0.00 H new ATOM 0 HA TYR A 47 4.183 6.274 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.860 6.494 7.084 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.208 7.080 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.682 7.674 7.034 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.021 9.147 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.551 9.837 6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.895 11.312 4.571 1.00 0.00 H new ATOM 0 HH TYR A 47 2.096 12.526 4.996 1.00 0.00 H new ATOM 707 N LEU A 48 5.666 4.385 4.861 1.00 0.00 N ATOM 708 CA LEU A 48 6.396 3.142 5.089 1.00 0.00 C ATOM 709 C LEU A 48 7.464 3.327 6.163 1.00 0.00 C ATOM 710 O LEU A 48 8.059 4.398 6.283 1.00 0.00 O ATOM 711 CB LEU A 48 7.042 2.662 3.788 1.00 0.00 C ATOM 712 CG LEU A 48 6.083 2.178 2.701 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.793 2.101 1.358 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.495 0.825 3.073 1.00 0.00 C ATOM 0 H LEU A 48 6.179 5.083 4.323 1.00 0.00 H new ATOM 0 HA LEU A 48 5.686 2.390 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.640 3.477 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.730 1.850 4.025 1.00 0.00 H new ATOM 0 HG LEU A 48 5.267 2.896 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.094 1.755 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.166 3.089 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.629 1.405 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.814 0.496 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.299 0.097 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.950 0.911 4.013 1.00 0.00 H new ATOM 726 N PHE A 49 7.702 2.276 6.940 1.00 0.00 N ATOM 727 CA PHE A 49 8.699 2.322 8.003 1.00 0.00 C ATOM 728 C PHE A 49 9.756 1.240 7.804 1.00 0.00 C ATOM 729 O PHE A 49 9.472 0.169 7.268 1.00 0.00 O ATOM 730 CB PHE A 49 8.028 2.151 9.368 1.00 0.00 C ATOM 731 CG PHE A 49 6.866 3.077 9.585 1.00 0.00 C ATOM 732 CD1 PHE A 49 6.863 4.348 9.033 1.00 0.00 C ATOM 733 CD2 PHE A 49 5.777 2.678 10.343 1.00 0.00 C ATOM 734 CE1 PHE A 49 5.795 5.203 9.230 1.00 0.00 C ATOM 735 CE2 PHE A 49 4.706 3.528 10.544 1.00 0.00 C ATOM 736 CZ PHE A 49 4.716 4.792 9.988 1.00 0.00 C ATOM 0 H PHE A 49 7.218 1.382 6.854 1.00 0.00 H new ATOM 0 HA PHE A 49 9.189 3.295 7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.685 1.121 9.469 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.767 2.319 10.151 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.706 4.675 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.765 1.691 10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.804 6.190 8.792 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.862 3.204 11.135 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.881 5.459 10.146 1.00 0.00 H new ATOM 746 N LEU A 50 10.978 1.529 8.240 1.00 0.00 N ATOM 747 CA LEU A 50 12.080 0.582 8.109 1.00 0.00 C ATOM 748 C LEU A 50 12.757 0.346 9.456 1.00 0.00 C ATOM 749 O LEU A 50 12.731 1.208 10.334 1.00 0.00 O ATOM 750 CB LEU A 50 13.103 1.095 7.095 1.00 0.00 C ATOM 751 CG LEU A 50 12.560 1.428 5.705 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.684 1.886 4.788 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.840 0.226 5.110 1.00 0.00 C ATOM 0 H LEU A 50 11.230 2.411 8.687 1.00 0.00 H new ATOM 0 HA LEU A 50 11.672 -0.365 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.573 1.990 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.886 0.344 6.987 1.00 0.00 H new ATOM 0 HG LEU A 50 11.843 2.243 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.278 2.118 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.155 2.776 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.425 1.092 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.461 0.482 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.535 -0.610 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.008 -0.056 5.756 1.00 0.00 H new ATOM 765 N ASP A 51 13.363 -0.826 9.610 1.00 0.00 N ATOM 766 CA ASP A 51 14.050 -1.175 10.848 1.00 0.00 C ATOM 767 C ASP A 51 15.351 -1.917 10.557 1.00 0.00 C ATOM 768 O ASP A 51 15.369 -2.886 9.799 1.00 0.00 O ATOM 769 CB ASP A 51 13.146 -2.033 11.734 1.00 0.00 C ATOM 770 CG ASP A 51 11.860 -1.323 12.110 1.00 0.00 C ATOM 771 OD1 ASP A 51 11.929 -0.332 12.866 1.00 0.00 O ATOM 772 OD2 ASP A 51 10.785 -1.758 11.647 1.00 0.00 O ATOM 0 H ASP A 51 13.392 -1.551 8.893 1.00 0.00 H new ATOM 0 HA ASP A 51 14.290 -0.251 11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.907 -2.960 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.685 -2.306 12.641 1.00 0.00 H new ATOM 777 N GLY A 52 16.439 -1.454 11.165 1.00 0.00 N ATOM 778 CA GLY A 52 17.729 -2.085 10.958 1.00 0.00 C ATOM 779 C GLY A 52 18.859 -1.327 11.627 1.00 0.00 C ATOM 780 O GLY A 52 18.854 -1.138 12.843 1.00 0.00 O ATOM 0 H GLY A 52 16.450 -0.653 11.797 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.699 -3.103 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.927 -2.157 9.889 1.00 0.00 H new ATOM 784 N ASP A 53 19.831 -0.893 10.831 1.00 0.00 N ATOM 785 CA ASP A 53 20.973 -0.152 11.354 1.00 0.00 C ATOM 786 C ASP A 53 20.514 1.091 12.110 1.00 0.00 C ATOM 787 O ASP A 53 21.027 1.400 13.185 1.00 0.00 O ATOM 788 CB ASP A 53 21.913 0.246 10.215 1.00 0.00 C ATOM 789 CG ASP A 53 22.947 -0.822 9.918 1.00 0.00 C ATOM 790 OD1 ASP A 53 23.200 -1.667 10.803 1.00 0.00 O ATOM 791 OD2 ASP A 53 23.502 -0.815 8.799 1.00 0.00 O ATOM 0 H ASP A 53 19.851 -1.042 9.822 1.00 0.00 H new ATOM 0 HA ASP A 53 21.509 -0.799 12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.328 0.441 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 53 22.419 1.176 10.474 1.00 0.00 H new ATOM 796 N SER A 54 19.547 1.801 11.539 1.00 0.00 N ATOM 797 CA SER A 54 19.022 3.014 12.157 1.00 0.00 C ATOM 798 C SER A 54 17.553 3.214 11.799 1.00 0.00 C ATOM 799 O SER A 54 16.993 2.475 10.988 1.00 0.00 O ATOM 800 CB SER A 54 19.837 4.230 11.713 1.00 0.00 C ATOM 801 OG SER A 54 21.005 4.377 12.502 1.00 0.00 O ATOM 0 H SER A 54 19.111 1.558 10.650 1.00 0.00 H new ATOM 0 HA SER A 54 19.102 2.906 13.239 1.00 0.00 H new ATOM 0 HB2 SER A 54 20.114 4.123 10.664 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.226 5.129 11.791 1.00 0.00 H new ATOM 0 HG SER A 54 21.231 3.518 12.916 1.00 0.00 H new ATOM 807 N HIS A 55 16.933 4.218 12.411 1.00 0.00 N ATOM 808 CA HIS A 55 15.528 4.517 12.158 1.00 0.00 C ATOM 809 C HIS A 55 15.339 5.099 10.760 1.00 0.00 C ATOM 810 O HIS A 55 15.674 6.257 10.509 1.00 0.00 O ATOM 811 CB HIS A 55 14.996 5.495 13.206 1.00 0.00 C ATOM 812 CG HIS A 55 14.555 4.832 14.474 1.00 0.00 C ATOM 813 ND1 HIS A 55 13.604 3.834 14.511 1.00 0.00 N ATOM 814 CD2 HIS A 55 14.942 5.028 15.757 1.00 0.00 C ATOM 815 CE1 HIS A 55 13.424 3.446 15.761 1.00 0.00 C ATOM 816 NE2 HIS A 55 14.225 4.155 16.537 1.00 0.00 N ATOM 0 H HIS A 55 17.381 4.838 13.085 1.00 0.00 H new ATOM 0 HA HIS A 55 14.967 3.585 12.223 1.00 0.00 H new ATOM 0 HB2 HIS A 55 15.772 6.224 13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.156 6.047 12.783 1.00 0.00 H new ATOM 0 HD2 HIS A 55 15.678 5.739 16.102 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.739 2.680 16.092 1.00 0.00 H new ATOM 0 HE2 HIS A 55 14.299 4.068 17.551 1.00 0.00 H new ATOM 824 N TYR A 56 14.804 4.288 9.855 1.00 0.00 N ATOM 825 CA TYR A 56 14.574 4.721 8.481 1.00 0.00 C ATOM 826 C TYR A 56 13.094 4.633 8.123 1.00 0.00 C ATOM 827 O TYR A 56 12.371 3.778 8.633 1.00 0.00 O ATOM 828 CB TYR A 56 15.397 3.871 7.512 1.00 0.00 C ATOM 829 CG TYR A 56 16.811 4.370 7.319 1.00 0.00 C ATOM 830 CD1 TYR A 56 17.098 5.360 6.387 1.00 0.00 C ATOM 831 CD2 TYR A 56 17.860 3.851 8.068 1.00 0.00 C ATOM 832 CE1 TYR A 56 18.389 5.818 6.207 1.00 0.00 C ATOM 833 CE2 TYR A 56 19.153 4.305 7.895 1.00 0.00 C ATOM 834 CZ TYR A 56 19.413 5.288 6.963 1.00 0.00 C ATOM 835 OH TYR A 56 20.700 5.742 6.788 1.00 0.00 O ATOM 0 H TYR A 56 14.521 3.327 10.047 1.00 0.00 H new ATOM 0 HA TYR A 56 14.888 5.761 8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.430 2.845 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.894 3.847 6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.299 5.778 5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.661 3.080 8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.595 6.587 5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.957 3.892 8.487 1.00 0.00 H new ATOM 0 HH TYR A 56 21.301 5.266 7.399 1.00 0.00 H new ATOM 845 N GLU A 57 12.651 5.524 7.240 1.00 0.00 N ATOM 846 CA GLU A 57 11.257 5.547 6.813 1.00 0.00 C ATOM 847 C GLU A 57 11.117 6.219 5.450 1.00 0.00 C ATOM 848 O GLU A 57 11.786 7.213 5.165 1.00 0.00 O ATOM 849 CB GLU A 57 10.396 6.278 7.845 1.00 0.00 C ATOM 850 CG GLU A 57 10.746 7.749 7.998 1.00 0.00 C ATOM 851 CD GLU A 57 12.143 7.962 8.550 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.442 7.415 9.632 1.00 0.00 O ATOM 853 OE2 GLU A 57 12.936 8.675 7.900 1.00 0.00 O ATOM 0 H GLU A 57 13.237 6.238 6.807 1.00 0.00 H new ATOM 0 HA GLU A 57 10.913 4.516 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.348 6.191 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.505 5.785 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.663 8.241 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.022 8.224 8.660 1.00 0.00 H new ATOM 860 N ILE A 58 10.245 5.669 4.612 1.00 0.00 N ATOM 861 CA ILE A 58 10.017 6.215 3.280 1.00 0.00 C ATOM 862 C ILE A 58 8.555 6.603 3.088 1.00 0.00 C ATOM 863 O ILE A 58 7.706 5.751 2.825 1.00 0.00 O ATOM 864 CB ILE A 58 10.418 5.210 2.184 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.902 4.857 2.303 1.00 0.00 C ATOM 866 CG2 ILE A 58 10.112 5.779 0.806 1.00 0.00 C ATOM 867 CD1 ILE A 58 12.251 3.507 1.717 1.00 0.00 C ATOM 0 H ILE A 58 9.685 4.846 4.832 1.00 0.00 H new ATOM 0 HA ILE A 58 10.641 7.104 3.192 1.00 0.00 H new ATOM 0 HB ILE A 58 9.835 4.298 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.491 5.625 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.188 4.872 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.401 5.057 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.045 5.984 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.671 6.703 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.319 3.323 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.689 2.729 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.997 3.494 0.657 1.00 0.00 H new ATOM 879 N GLU A 59 8.269 7.894 3.220 1.00 0.00 N ATOM 880 CA GLU A 59 6.909 8.395 3.060 1.00 0.00 C ATOM 881 C GLU A 59 6.420 8.193 1.629 1.00 0.00 C ATOM 882 O GLU A 59 7.146 8.460 0.670 1.00 0.00 O ATOM 883 CB GLU A 59 6.841 9.878 3.430 1.00 0.00 C ATOM 884 CG GLU A 59 8.008 10.692 2.897 1.00 0.00 C ATOM 885 CD GLU A 59 9.182 10.726 3.857 1.00 0.00 C ATOM 886 OE1 GLU A 59 9.008 11.224 4.989 1.00 0.00 O ATOM 887 OE2 GLU A 59 10.273 10.254 3.476 1.00 0.00 O ATOM 0 H GLU A 59 8.960 8.612 3.437 1.00 0.00 H new ATOM 0 HA GLU A 59 6.260 7.831 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.911 10.297 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.809 9.972 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.334 10.273 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.675 11.711 2.699 1.00 0.00 H new ATOM 894 N ILE A 60 5.185 7.721 1.493 1.00 0.00 N ATOM 895 CA ILE A 60 4.599 7.483 0.179 1.00 0.00 C ATOM 896 C ILE A 60 4.312 8.797 -0.540 1.00 0.00 C ATOM 897 O ILE A 60 4.102 8.821 -1.752 1.00 0.00 O ATOM 898 CB ILE A 60 3.295 6.672 0.283 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.569 5.302 0.907 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.657 6.517 -1.089 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.319 4.483 1.141 1.00 0.00 C ATOM 0 H ILE A 60 4.571 7.496 2.276 1.00 0.00 H new ATOM 0 HA ILE A 60 5.328 6.910 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 60 2.600 7.211 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.243 4.744 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.085 5.441 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.736 5.941 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.431 7.502 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.346 5.997 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.590 3.525 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.653 5.021 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.813 4.312 0.191 1.00 0.00 H new ATOM 913 N VAL A 61 4.305 9.890 0.217 1.00 0.00 N ATOM 914 CA VAL A 61 4.046 11.209 -0.348 1.00 0.00 C ATOM 915 C VAL A 61 5.201 11.664 -1.234 1.00 0.00 C ATOM 916 O VAL A 61 5.034 12.531 -2.093 1.00 0.00 O ATOM 917 CB VAL A 61 3.818 12.258 0.757 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.542 11.954 1.526 1.00 0.00 C ATOM 919 CG2 VAL A 61 5.015 12.313 1.694 1.00 0.00 C ATOM 0 H VAL A 61 4.476 9.888 1.223 1.00 0.00 H new ATOM 0 HA VAL A 61 3.141 11.123 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 61 3.707 13.236 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.397 12.705 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.693 11.970 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.620 10.968 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.837 13.059 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.160 11.337 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.907 12.582 1.129 1.00 0.00 H new ATOM 929 N HIS A 62 6.372 11.072 -1.021 1.00 0.00 N ATOM 930 CA HIS A 62 7.555 11.416 -1.801 1.00 0.00 C ATOM 931 C HIS A 62 7.758 10.426 -2.944 1.00 0.00 C ATOM 932 O HIS A 62 8.121 10.812 -4.056 1.00 0.00 O ATOM 933 CB HIS A 62 8.794 11.439 -0.905 1.00 0.00 C ATOM 934 CG HIS A 62 9.055 12.774 -0.280 1.00 0.00 C ATOM 935 ND1 HIS A 62 10.091 13.598 -0.668 1.00 0.00 N ATOM 936 CD2 HIS A 62 8.407 13.429 0.712 1.00 0.00 C ATOM 937 CE1 HIS A 62 10.070 14.701 0.059 1.00 0.00 C ATOM 938 NE2 HIS A 62 9.057 14.624 0.904 1.00 0.00 N ATOM 0 H HIS A 62 6.527 10.352 -0.315 1.00 0.00 H new ATOM 0 HA HIS A 62 7.404 12.409 -2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.677 10.695 -0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.664 11.146 -1.493 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.768 13.388 -1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.540 13.077 1.252 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.763 15.525 -0.023 1.00 0.00 H new ATOM 946 N ILE A 63 7.522 9.149 -2.663 1.00 0.00 N ATOM 947 CA ILE A 63 7.678 8.104 -3.668 1.00 0.00 C ATOM 948 C ILE A 63 6.992 8.490 -4.974 1.00 0.00 C ATOM 949 O ILE A 63 5.844 8.934 -4.976 1.00 0.00 O ATOM 950 CB ILE A 63 7.106 6.761 -3.178 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.761 6.355 -1.856 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.311 5.682 -4.231 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.264 5.031 -1.318 1.00 0.00 C ATOM 0 H ILE A 63 7.222 8.813 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 63 8.748 7.992 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 63 6.035 6.878 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.840 6.299 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.576 7.132 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.901 4.739 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.802 5.970 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.377 5.563 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.771 4.806 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.189 5.089 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.473 4.243 -2.041 1.00 0.00 H new ATOM 965 N SER A 64 7.703 8.316 -6.084 1.00 0.00 N ATOM 966 CA SER A 64 7.163 8.648 -7.397 1.00 0.00 C ATOM 967 C SER A 64 6.919 7.386 -8.219 1.00 0.00 C ATOM 968 O SER A 64 5.829 7.180 -8.754 1.00 0.00 O ATOM 969 CB SER A 64 8.119 9.580 -8.144 1.00 0.00 C ATOM 970 OG SER A 64 7.424 10.370 -9.093 1.00 0.00 O ATOM 0 H SER A 64 8.654 7.947 -6.100 1.00 0.00 H new ATOM 0 HA SER A 64 6.210 9.157 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.631 10.228 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.886 8.992 -8.648 1.00 0.00 H new ATOM 0 HG SER A 64 8.057 10.958 -9.556 1.00 0.00 H new ATOM 976 N THR A 65 7.942 6.543 -8.315 1.00 0.00 N ATOM 977 CA THR A 65 7.841 5.302 -9.072 1.00 0.00 C ATOM 978 C THR A 65 7.712 4.100 -8.143 1.00 0.00 C ATOM 979 O THR A 65 8.451 3.976 -7.166 1.00 0.00 O ATOM 980 CB THR A 65 9.064 5.100 -9.987 1.00 0.00 C ATOM 981 OG1 THR A 65 9.257 6.256 -10.809 1.00 0.00 O ATOM 982 CG2 THR A 65 8.887 3.870 -10.864 1.00 0.00 C ATOM 0 H THR A 65 8.850 6.697 -7.878 1.00 0.00 H new ATOM 0 HA THR A 65 6.945 5.380 -9.688 1.00 0.00 H new ATOM 0 HB THR A 65 9.941 4.953 -9.357 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.037 6.120 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.763 3.748 -11.501 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.771 2.988 -10.234 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.000 3.991 -11.486 1.00 0.00 H new ATOM 990 N VAL A 66 6.769 3.217 -8.453 1.00 0.00 N ATOM 991 CA VAL A 66 6.544 2.023 -7.647 1.00 0.00 C ATOM 992 C VAL A 66 6.386 0.787 -8.526 1.00 0.00 C ATOM 993 O VAL A 66 5.327 0.562 -9.111 1.00 0.00 O ATOM 994 CB VAL A 66 5.293 2.172 -6.760 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.063 0.909 -5.945 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.426 3.385 -5.852 1.00 0.00 C ATOM 0 H VAL A 66 6.148 3.306 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 66 7.420 1.902 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 66 4.427 2.322 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.175 1.033 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.921 0.063 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.928 0.725 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.534 3.475 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.301 3.267 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.539 4.283 -6.459 1.00 0.00 H new ATOM 1006 N GLN A 67 7.446 -0.010 -8.612 1.00 0.00 N ATOM 1007 CA GLN A 67 7.425 -1.223 -9.421 1.00 0.00 C ATOM 1008 C GLN A 67 7.976 -2.409 -8.636 1.00 0.00 C ATOM 1009 O GLN A 67 8.712 -2.235 -7.664 1.00 0.00 O ATOM 1010 CB GLN A 67 8.235 -1.022 -10.702 1.00 0.00 C ATOM 1011 CG GLN A 67 9.737 -0.964 -10.469 1.00 0.00 C ATOM 1012 CD GLN A 67 10.502 -0.526 -11.702 1.00 0.00 C ATOM 1013 OE1 GLN A 67 10.197 0.505 -12.303 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.503 -1.309 -12.088 1.00 0.00 N ATOM 0 H GLN A 67 8.329 0.162 -8.132 1.00 0.00 H new ATOM 0 HA GLN A 67 6.389 -1.435 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.014 -1.835 -11.393 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.914 -0.098 -11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.948 -0.275 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.091 -1.947 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.722 -2.154 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.053 -1.065 -12.912 1.00 0.00 H new ATOM 1023 N ILE A 68 7.616 -3.614 -9.065 1.00 0.00 N ATOM 1024 CA ILE A 68 8.076 -4.829 -8.403 1.00 0.00 C ATOM 1025 C ILE A 68 9.181 -5.507 -9.205 1.00 0.00 C ATOM 1026 O ILE A 68 9.181 -5.472 -10.436 1.00 0.00 O ATOM 1027 CB ILE A 68 6.922 -5.827 -8.193 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.934 -5.288 -7.157 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.465 -7.181 -7.761 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.701 -6.148 -6.993 1.00 0.00 C ATOM 0 H ILE A 68 7.008 -3.775 -9.868 1.00 0.00 H new ATOM 0 HA ILE A 68 8.468 -4.530 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 68 6.394 -5.954 -9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.439 -5.204 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.630 -4.282 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.637 -7.876 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.133 -7.568 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.014 -7.071 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.046 -5.705 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.173 -6.212 -7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.995 -7.148 -6.673 1.00 0.00 H new ATOM 1042 N LEU A 69 10.121 -6.127 -8.500 1.00 0.00 N ATOM 1043 CA LEU A 69 11.232 -6.817 -9.146 1.00 0.00 C ATOM 1044 C LEU A 69 10.867 -8.264 -9.458 1.00 0.00 C ATOM 1045 O LEU A 69 10.553 -9.045 -8.559 1.00 0.00 O ATOM 1046 CB LEU A 69 12.474 -6.773 -8.254 1.00 0.00 C ATOM 1047 CG LEU A 69 13.055 -5.385 -7.980 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.289 -5.488 -7.097 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.389 -4.680 -9.286 1.00 0.00 C ATOM 0 H LEU A 69 10.136 -6.166 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 69 11.448 -6.306 -10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.227 -7.237 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.249 -7.385 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 69 12.305 -4.795 -7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.689 -4.491 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.020 -5.952 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.044 -6.095 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.801 -3.694 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.122 -5.267 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.484 -4.573 -9.884 1.00 0.00 H new ATOM 1061 N THR A 70 10.912 -8.618 -10.739 1.00 0.00 N ATOM 1062 CA THR A 70 10.587 -9.972 -11.170 1.00 0.00 C ATOM 1063 C THR A 70 11.658 -10.523 -12.105 1.00 0.00 C ATOM 1064 O THR A 70 11.759 -10.108 -13.259 1.00 0.00 O ATOM 1065 CB THR A 70 9.223 -10.022 -11.883 1.00 0.00 C ATOM 1066 OG1 THR A 70 9.280 -9.275 -13.103 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.125 -9.463 -10.991 1.00 0.00 C ATOM 0 H THR A 70 11.171 -7.985 -11.496 1.00 0.00 H new ATOM 0 HA THR A 70 10.541 -10.588 -10.272 1.00 0.00 H new ATOM 0 HB THR A 70 8.993 -11.064 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.206 -9.240 -13.422 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.171 -9.509 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.064 -10.052 -10.076 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.352 -8.427 -10.741 1.00 0.00 H new ATOM 1214 N ALA A 82 7.028 -12.630 -7.745 1.00 0.00 N ATOM 1215 CA ALA A 82 7.754 -11.437 -7.329 1.00 0.00 C ATOM 1216 C ALA A 82 8.987 -11.801 -6.510 1.00 0.00 C ATOM 1217 O ALA A 82 8.878 -12.360 -5.418 1.00 0.00 O ATOM 1218 CB ALA A 82 6.842 -10.515 -6.532 1.00 0.00 C ATOM 0 HA ALA A 82 8.088 -10.915 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.397 -9.628 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.995 -10.218 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.480 -11.038 -5.647 1.00 0.00 H new ATOM 1224 N THR A 83 10.162 -11.483 -7.044 1.00 0.00 N ATOM 1225 CA THR A 83 11.417 -11.779 -6.363 1.00 0.00 C ATOM 1226 C THR A 83 11.994 -10.530 -5.707 1.00 0.00 C ATOM 1227 O THR A 83 13.211 -10.357 -5.643 1.00 0.00 O ATOM 1228 CB THR A 83 12.459 -12.363 -7.335 1.00 0.00 C ATOM 1229 OG1 THR A 83 12.819 -11.383 -8.315 1.00 0.00 O ATOM 1230 CG2 THR A 83 11.917 -13.605 -8.028 1.00 0.00 C ATOM 0 H THR A 83 10.271 -11.020 -7.946 1.00 0.00 H new ATOM 0 HA THR A 83 11.193 -12.519 -5.595 1.00 0.00 H new ATOM 0 HB THR A 83 13.342 -12.643 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.483 -11.762 -8.928 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.671 -14.000 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.672 -14.360 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.020 -13.346 -8.590 1.00 0.00 H new ATOM 1238 N GLY A 84 11.113 -9.662 -5.220 1.00 0.00 N ATOM 1239 CA GLY A 84 11.556 -8.439 -4.574 1.00 0.00 C ATOM 1240 C GLY A 84 10.661 -7.258 -4.893 1.00 0.00 C ATOM 1241 O GLY A 84 9.522 -7.433 -5.325 1.00 0.00 O ATOM 0 H GLY A 84 10.101 -9.783 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.582 -8.590 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.575 -8.214 -4.889 1.00 0.00 H new ATOM 1245 N MET A 85 11.176 -6.052 -4.679 1.00 0.00 N ATOM 1246 CA MET A 85 10.415 -4.838 -4.947 1.00 0.00 C ATOM 1247 C MET A 85 11.347 -3.657 -5.203 1.00 0.00 C ATOM 1248 O MET A 85 12.425 -3.567 -4.617 1.00 0.00 O ATOM 1249 CB MET A 85 9.486 -4.524 -3.773 1.00 0.00 C ATOM 1250 CG MET A 85 8.877 -3.132 -3.835 1.00 0.00 C ATOM 1251 SD MET A 85 7.625 -2.979 -5.124 1.00 0.00 S ATOM 1252 CE MET A 85 6.129 -3.253 -4.177 1.00 0.00 C ATOM 0 H MET A 85 12.117 -5.890 -4.321 1.00 0.00 H new ATOM 0 HA MET A 85 9.815 -5.005 -5.842 1.00 0.00 H new ATOM 0 HB2 MET A 85 8.684 -5.262 -3.748 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.043 -4.627 -2.842 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.431 -2.891 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.667 -2.402 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.264 -3.190 -4.837 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.164 -4.241 -3.719 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.047 -2.495 -3.398 1.00 0.00 H new ATOM 1262 N PHE A 86 10.923 -2.756 -6.083 1.00 0.00 N ATOM 1263 CA PHE A 86 11.721 -1.581 -6.417 1.00 0.00 C ATOM 1264 C PHE A 86 10.910 -0.302 -6.232 1.00 0.00 C ATOM 1265 O PHE A 86 9.827 -0.152 -6.798 1.00 0.00 O ATOM 1266 CB PHE A 86 12.224 -1.675 -7.859 1.00 0.00 C ATOM 1267 CG PHE A 86 13.437 -0.830 -8.127 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.652 -1.132 -7.533 1.00 0.00 C ATOM 1269 CD2 PHE A 86 13.362 0.266 -8.971 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.770 -0.356 -7.777 1.00 0.00 C ATOM 1271 CE2 PHE A 86 14.477 1.045 -9.219 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.682 0.733 -8.622 1.00 0.00 C ATOM 0 H PHE A 86 10.033 -2.816 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 86 12.576 -1.549 -5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.458 -2.715 -8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.424 -1.373 -8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 86 14.726 -1.983 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.422 0.515 -9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.711 -0.601 -7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.405 1.897 -9.879 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.554 1.339 -8.815 1.00 0.00 H new ATOM 1282 N LEU A 87 11.442 0.617 -5.433 1.00 0.00 N ATOM 1283 CA LEU A 87 10.768 1.884 -5.171 1.00 0.00 C ATOM 1284 C LEU A 87 11.707 3.061 -5.417 1.00 0.00 C ATOM 1285 O LEU A 87 12.927 2.922 -5.331 1.00 0.00 O ATOM 1286 CB LEU A 87 10.252 1.922 -3.732 1.00 0.00 C ATOM 1287 CG LEU A 87 9.294 0.798 -3.333 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.427 0.485 -1.851 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.860 1.173 -3.674 1.00 0.00 C ATOM 0 H LEU A 87 12.337 0.509 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 87 9.924 1.966 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.109 1.898 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.748 2.875 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 87 9.558 -0.096 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.738 -0.317 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.449 0.172 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.190 1.375 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.193 0.362 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.584 2.080 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.774 1.346 -4.747 1.00 0.00 H new ATOM 1301 N GLN A 88 11.130 4.219 -5.721 1.00 0.00 N ATOM 1302 CA GLN A 88 11.916 5.420 -5.978 1.00 0.00 C ATOM 1303 C GLN A 88 11.353 6.612 -5.211 1.00 0.00 C ATOM 1304 O GLN A 88 10.140 6.819 -5.167 1.00 0.00 O ATOM 1305 CB GLN A 88 11.941 5.728 -7.476 1.00 0.00 C ATOM 1306 CG GLN A 88 12.636 4.659 -8.305 1.00 0.00 C ATOM 1307 CD GLN A 88 12.877 5.096 -9.736 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.242 4.596 -10.665 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.798 6.035 -9.922 1.00 0.00 N ATOM 0 H GLN A 88 10.121 4.351 -5.795 1.00 0.00 H new ATOM 0 HA GLN A 88 12.935 5.238 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.917 5.844 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.443 6.682 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.589 4.407 -7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.031 3.752 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.301 6.422 -9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.003 6.369 -10.864 1.00 0.00 H new ATOM 1318 N TYR A 89 12.242 7.394 -4.608 1.00 0.00 N ATOM 1319 CA TYR A 89 11.835 8.565 -3.840 1.00 0.00 C ATOM 1320 C TYR A 89 12.933 9.624 -3.837 1.00 0.00 C ATOM 1321 O TYR A 89 14.121 9.304 -3.873 1.00 0.00 O ATOM 1322 CB TYR A 89 11.492 8.165 -2.404 1.00 0.00 C ATOM 1323 CG TYR A 89 12.567 7.340 -1.733 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.633 7.950 -1.083 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.517 5.952 -1.748 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.618 7.201 -0.468 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.496 5.195 -1.135 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.545 5.824 -0.497 1.00 0.00 C ATOM 1329 OH TYR A 89 15.523 5.073 0.114 1.00 0.00 O ATOM 0 H TYR A 89 13.250 7.238 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 89 10.949 8.988 -4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.317 9.066 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.560 7.600 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.693 9.028 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.698 5.456 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.440 7.691 0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.441 4.117 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 89 15.889 5.570 0.875 1.00 0.00 H new ATOM 1339 N THR A 90 12.526 10.889 -3.794 1.00 0.00 N ATOM 1340 CA THR A 90 13.473 11.996 -3.787 1.00 0.00 C ATOM 1341 C THR A 90 13.615 12.589 -2.389 1.00 0.00 C ATOM 1342 O THR A 90 12.647 12.658 -1.632 1.00 0.00 O ATOM 1343 CB THR A 90 13.044 13.108 -4.762 1.00 0.00 C ATOM 1344 OG1 THR A 90 11.770 13.634 -4.376 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.970 12.580 -6.187 1.00 0.00 C ATOM 0 H THR A 90 11.546 11.172 -3.764 1.00 0.00 H new ATOM 0 HA THR A 90 14.434 11.592 -4.107 1.00 0.00 H new ATOM 0 HB THR A 90 13.790 13.901 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.506 14.342 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.665 13.384 -6.857 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.949 12.208 -6.488 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.243 11.770 -6.237 1.00 0.00 H new ATOM 1353 N VAL A 91 14.828 13.016 -2.053 1.00 0.00 N ATOM 1354 CA VAL A 91 15.097 13.605 -0.747 1.00 0.00 C ATOM 1355 C VAL A 91 15.164 15.125 -0.833 1.00 0.00 C ATOM 1356 O VAL A 91 15.860 15.694 -1.674 1.00 0.00 O ATOM 1357 CB VAL A 91 16.416 13.076 -0.153 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.799 13.868 1.088 1.00 0.00 C ATOM 1359 CG2 VAL A 91 16.300 11.593 0.165 1.00 0.00 C ATOM 0 H VAL A 91 15.640 12.965 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 91 14.273 13.317 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 91 17.205 13.204 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.733 13.480 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.926 14.918 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.012 13.775 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.241 11.236 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.499 11.437 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.077 11.041 -0.748 1.00 0.00 H new ATOM 1369 N PRO A 92 14.425 15.802 0.059 1.00 0.00 N ATOM 1370 CA PRO A 92 14.384 17.266 0.105 1.00 0.00 C ATOM 1371 C PRO A 92 15.698 17.867 0.592 1.00 0.00 C ATOM 1372 O PRO A 92 15.829 18.234 1.759 1.00 0.00 O ATOM 1373 CB PRO A 92 13.260 17.558 1.103 1.00 0.00 C ATOM 1374 CG PRO A 92 13.201 16.350 1.971 1.00 0.00 C ATOM 1375 CD PRO A 92 13.572 15.188 1.091 1.00 0.00 C ATOM 0 HA PRO A 92 14.221 17.701 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.471 18.454 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.311 17.726 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.890 16.439 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.203 16.219 2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.105 14.417 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.691 14.716 0.656 1.00 0.00 H new ATOM 1383 N GLY A 93 16.669 17.966 -0.311 1.00 0.00 N ATOM 1384 CA GLY A 93 17.960 18.524 0.047 1.00 0.00 C ATOM 1385 C GLY A 93 19.115 17.664 -0.427 1.00 0.00 C ATOM 1386 O GLY A 93 20.131 17.542 0.258 1.00 0.00 O ATOM 0 H GLY A 93 16.585 17.670 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 93 18.053 19.521 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.016 18.637 1.130 1.00 0.00 H new ATOM 1390 N THR A 94 18.960 17.063 -1.603 1.00 0.00 N ATOM 1391 CA THR A 94 19.996 16.207 -2.166 1.00 0.00 C ATOM 1392 C THR A 94 20.074 16.363 -3.681 1.00 0.00 C ATOM 1393 O THR A 94 19.248 17.044 -4.287 1.00 0.00 O ATOM 1394 CB THR A 94 19.747 14.725 -1.827 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.978 13.996 -1.882 1.00 0.00 O ATOM 1396 CG2 THR A 94 18.744 14.110 -2.790 1.00 0.00 C ATOM 0 H THR A 94 18.126 17.154 -2.184 1.00 0.00 H new ATOM 0 HA THR A 94 20.941 16.520 -1.721 1.00 0.00 H new ATOM 0 HB THR A 94 19.338 14.670 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.811 13.055 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.585 13.063 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.799 14.648 -2.723 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.129 14.177 -3.808 1.00 0.00 H new ATOM 1404 N GLU A 95 21.073 15.727 -4.286 1.00 0.00 N ATOM 1405 CA GLU A 95 21.258 15.797 -5.730 1.00 0.00 C ATOM 1406 C GLU A 95 21.069 14.424 -6.370 1.00 0.00 C ATOM 1407 O GLU A 95 21.920 13.545 -6.243 1.00 0.00 O ATOM 1408 CB GLU A 95 22.650 16.339 -6.063 1.00 0.00 C ATOM 1409 CG GLU A 95 23.751 15.770 -5.184 1.00 0.00 C ATOM 1410 CD GLU A 95 25.066 16.507 -5.346 1.00 0.00 C ATOM 1411 OE1 GLU A 95 25.649 16.442 -6.448 1.00 0.00 O ATOM 1412 OE2 GLU A 95 25.512 17.147 -4.371 1.00 0.00 O ATOM 0 H GLU A 95 21.765 15.158 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 95 20.506 16.474 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.877 16.116 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 95 22.641 17.424 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 95 23.439 15.817 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.897 14.717 -5.426 1.00 0.00 H new ATOM 1419 N GLY A 96 19.944 14.248 -7.057 1.00 0.00 N ATOM 1420 CA GLY A 96 19.662 12.980 -7.705 1.00 0.00 C ATOM 1421 C GLY A 96 18.532 12.224 -7.034 1.00 0.00 C ATOM 1422 O GLY A 96 17.904 12.729 -6.103 1.00 0.00 O ATOM 0 H GLY A 96 19.224 14.960 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.406 13.158 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.561 12.364 -7.698 1.00 0.00 H new ATOM 1426 N VAL A 97 18.271 11.010 -7.508 1.00 0.00 N ATOM 1427 CA VAL A 97 17.209 10.183 -6.948 1.00 0.00 C ATOM 1428 C VAL A 97 17.775 8.918 -6.312 1.00 0.00 C ATOM 1429 O VAL A 97 18.738 8.336 -6.812 1.00 0.00 O ATOM 1430 CB VAL A 97 16.179 9.788 -8.023 1.00 0.00 C ATOM 1431 CG1 VAL A 97 15.172 8.797 -7.460 1.00 0.00 C ATOM 1432 CG2 VAL A 97 15.478 11.023 -8.568 1.00 0.00 C ATOM 0 H VAL A 97 18.781 10.577 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 97 16.713 10.780 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 97 16.706 9.305 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.453 8.530 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.693 7.900 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.648 9.249 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.754 10.725 -9.326 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.963 11.537 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 97 16.214 11.693 -9.012 1.00 0.00 H new ATOM 1442 N THR A 98 17.169 8.496 -5.206 1.00 0.00 N ATOM 1443 CA THR A 98 17.613 7.301 -4.501 1.00 0.00 C ATOM 1444 C THR A 98 16.671 6.130 -4.759 1.00 0.00 C ATOM 1445 O THR A 98 15.451 6.286 -4.730 1.00 0.00 O ATOM 1446 CB THR A 98 17.705 7.546 -2.983 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.612 8.620 -2.715 1.00 0.00 O ATOM 1448 CG2 THR A 98 18.170 6.290 -2.260 1.00 0.00 C ATOM 0 H THR A 98 16.370 8.965 -4.780 1.00 0.00 H new ATOM 0 HA THR A 98 18.605 7.058 -4.883 1.00 0.00 H new ATOM 0 HB THR A 98 16.712 7.810 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.664 8.771 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 98 18.228 6.487 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.462 5.482 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 98 19.154 6.001 -2.629 1.00 0.00 H new ATOM 1456 N GLN A 99 17.246 4.958 -5.009 1.00 0.00 N ATOM 1457 CA GLN A 99 16.457 3.761 -5.272 1.00 0.00 C ATOM 1458 C GLN A 99 16.669 2.718 -4.179 1.00 0.00 C ATOM 1459 O GLN A 99 17.794 2.496 -3.728 1.00 0.00 O ATOM 1460 CB GLN A 99 16.824 3.171 -6.635 1.00 0.00 C ATOM 1461 CG GLN A 99 18.289 2.784 -6.756 1.00 0.00 C ATOM 1462 CD GLN A 99 18.715 2.551 -8.192 1.00 0.00 C ATOM 1463 OE1 GLN A 99 18.371 3.324 -9.086 1.00 0.00 O ATOM 1464 NE2 GLN A 99 19.467 1.481 -8.420 1.00 0.00 N ATOM 0 H GLN A 99 18.255 4.812 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 99 15.405 4.045 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.208 2.291 -6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.583 3.896 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 99 18.906 3.571 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 99 18.471 1.879 -6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.728 0.867 -7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.783 1.272 -9.367 1.00 0.00 H new ATOM 1473 N LEU A 100 15.583 2.080 -3.758 1.00 0.00 N ATOM 1474 CA LEU A 100 15.650 1.060 -2.717 1.00 0.00 C ATOM 1475 C LEU A 100 15.247 -0.305 -3.266 1.00 0.00 C ATOM 1476 O LEU A 100 14.142 -0.478 -3.781 1.00 0.00 O ATOM 1477 CB LEU A 100 14.744 1.439 -1.545 1.00 0.00 C ATOM 1478 CG LEU A 100 15.074 0.786 -0.202 1.00 0.00 C ATOM 1479 CD1 LEU A 100 16.052 1.647 0.584 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.805 0.548 0.602 1.00 0.00 C ATOM 0 H LEU A 100 14.645 2.251 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 100 16.680 1.000 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.781 2.521 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.718 1.183 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 100 15.544 -0.178 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.275 1.167 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.973 1.766 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.609 2.626 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.060 0.083 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.306 1.500 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.139 -0.109 0.044 1.00 0.00 H new ATOM 1492 N LYS A 101 16.150 -1.273 -3.150 1.00 0.00 N ATOM 1493 CA LYS A 101 15.888 -2.625 -3.631 1.00 0.00 C ATOM 1494 C LYS A 101 15.489 -3.543 -2.481 1.00 0.00 C ATOM 1495 O LYS A 101 16.108 -3.527 -1.416 1.00 0.00 O ATOM 1496 CB LYS A 101 17.125 -3.184 -4.339 1.00 0.00 C ATOM 1497 CG LYS A 101 16.815 -4.326 -5.292 1.00 0.00 C ATOM 1498 CD LYS A 101 18.061 -4.794 -6.024 1.00 0.00 C ATOM 1499 CE LYS A 101 18.262 -4.032 -7.325 1.00 0.00 C ATOM 1500 NZ LYS A 101 19.060 -2.791 -7.123 1.00 0.00 N ATOM 0 H LYS A 101 17.070 -1.147 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 101 15.061 -2.579 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.610 -2.381 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.837 -3.530 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.384 -5.159 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.066 -4.004 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.933 -4.659 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.982 -5.861 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.765 -4.674 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.291 -3.775 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 19.557 -2.551 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.426 -2.010 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.755 -2.945 -6.365 1.00 0.00 H new ATOM 1514 N LEU A 102 14.452 -4.344 -2.703 1.00 0.00 N ATOM 1515 CA LEU A 102 13.971 -5.272 -1.685 1.00 0.00 C ATOM 1516 C LEU A 102 13.958 -6.702 -2.215 1.00 0.00 C ATOM 1517 O LEU A 102 13.459 -6.967 -3.309 1.00 0.00 O ATOM 1518 CB LEU A 102 12.567 -4.873 -1.227 1.00 0.00 C ATOM 1519 CG LEU A 102 12.418 -3.453 -0.679 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.960 -3.152 -0.368 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.280 -3.266 0.561 1.00 0.00 C ATOM 0 H LEU A 102 13.929 -4.369 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 102 14.651 -5.225 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.885 -4.989 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.245 -5.574 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 102 12.758 -2.752 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.873 -2.137 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.367 -3.244 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.593 -3.859 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.161 -2.250 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.972 -3.975 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.326 -3.439 0.307 1.00 0.00 H new ATOM 1533 N THR A 103 14.509 -7.623 -1.430 1.00 0.00 N ATOM 1534 CA THR A 103 14.560 -9.027 -1.818 1.00 0.00 C ATOM 1535 C THR A 103 14.000 -9.923 -0.720 1.00 0.00 C ATOM 1536 O THR A 103 14.117 -9.615 0.467 1.00 0.00 O ATOM 1537 CB THR A 103 16.001 -9.469 -2.140 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.567 -8.608 -3.134 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.028 -10.908 -2.633 1.00 0.00 C ATOM 0 H THR A 103 14.926 -7.421 -0.521 1.00 0.00 H new ATOM 0 HA THR A 103 13.947 -9.129 -2.714 1.00 0.00 H new ATOM 0 HB THR A 103 16.591 -9.404 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.483 -8.894 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.055 -11.198 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 103 15.624 -11.564 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.424 -10.994 -3.536 1.00 0.00 H new ATOM 1547 N VAL A 104 13.390 -11.034 -1.121 1.00 0.00 N ATOM 1548 CA VAL A 104 12.813 -11.976 -0.170 1.00 0.00 C ATOM 1549 C VAL A 104 13.891 -12.848 0.463 1.00 0.00 C ATOM 1550 O VAL A 104 14.868 -13.216 -0.189 1.00 0.00 O ATOM 1551 CB VAL A 104 11.764 -12.881 -0.843 1.00 0.00 C ATOM 1552 CG1 VAL A 104 11.173 -13.854 0.165 1.00 0.00 C ATOM 1553 CG2 VAL A 104 10.673 -12.042 -1.490 1.00 0.00 C ATOM 0 H VAL A 104 13.283 -11.304 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 104 12.327 -11.385 0.606 1.00 0.00 H new ATOM 0 HB VAL A 104 12.256 -13.460 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 104 10.434 -14.485 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 104 11.966 -14.478 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 104 10.695 -13.297 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.941 -12.698 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.181 -11.435 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.114 -11.390 -2.244 1.00 0.00 H new ATOM 1563 N VAL A 105 13.706 -13.177 1.737 1.00 0.00 N ATOM 1564 CA VAL A 105 14.662 -14.008 2.459 1.00 0.00 C ATOM 1565 C VAL A 105 14.025 -15.321 2.900 1.00 0.00 C ATOM 1566 O VAL A 105 12.801 -15.444 2.945 1.00 0.00 O ATOM 1567 CB VAL A 105 15.218 -13.279 3.696 1.00 0.00 C ATOM 1568 CG1 VAL A 105 16.009 -12.048 3.280 1.00 0.00 C ATOM 1569 CG2 VAL A 105 14.090 -12.902 4.645 1.00 0.00 C ATOM 0 H VAL A 105 12.902 -12.881 2.291 1.00 0.00 H new ATOM 0 HA VAL A 105 15.482 -14.218 1.772 1.00 0.00 H new ATOM 0 HB VAL A 105 15.893 -13.955 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.394 -11.546 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 105 16.841 -12.348 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 105 15.359 -11.367 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 105 14.502 -12.388 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 105 13.388 -12.244 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 105 13.571 -13.804 4.970 1.00 0.00 H new ATOM 1659 N ARG A 112 8.549 -17.459 2.189 1.00 0.00 N ATOM 1660 CA ARG A 112 8.294 -16.834 0.896 1.00 0.00 C ATOM 1661 C ARG A 112 6.845 -16.368 0.794 1.00 0.00 C ATOM 1662 O ARG A 112 6.568 -15.269 0.312 1.00 0.00 O ATOM 1663 CB ARG A 112 8.608 -17.812 -0.237 1.00 0.00 C ATOM 1664 CG ARG A 112 9.007 -17.131 -1.536 1.00 0.00 C ATOM 1665 CD ARG A 112 10.503 -16.864 -1.589 1.00 0.00 C ATOM 1666 NE ARG A 112 11.245 -18.007 -2.116 1.00 0.00 N ATOM 1667 CZ ARG A 112 12.566 -18.123 -2.043 1.00 0.00 C ATOM 1668 NH1 ARG A 112 13.287 -17.171 -1.468 1.00 0.00 N ATOM 1669 NH2 ARG A 112 13.168 -19.193 -2.545 1.00 0.00 N ATOM 0 HA ARG A 112 8.944 -15.964 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.414 -18.474 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 112 7.734 -18.438 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.718 -17.757 -2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 112 8.465 -16.191 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.693 -15.990 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.865 -16.627 -0.588 1.00 0.00 H new ATOM 0 HE ARG A 112 10.719 -18.757 -2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 112 12.827 -16.347 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 112 14.301 -17.262 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 112 12.616 -19.928 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 112 14.183 -19.281 -2.488 1.00 0.00 H new ATOM 1683 N ARG A 113 5.924 -17.211 1.249 1.00 0.00 N ATOM 1684 CA ARG A 113 4.503 -16.887 1.207 1.00 0.00 C ATOM 1685 C ARG A 113 4.236 -15.532 1.857 1.00 0.00 C ATOM 1686 O ARG A 113 3.412 -14.755 1.375 1.00 0.00 O ATOM 1687 CB ARG A 113 3.689 -17.973 1.912 1.00 0.00 C ATOM 1688 CG ARG A 113 3.268 -19.110 0.996 1.00 0.00 C ATOM 1689 CD ARG A 113 4.397 -20.109 0.794 1.00 0.00 C ATOM 1690 NE ARG A 113 4.506 -21.044 1.910 1.00 0.00 N ATOM 1691 CZ ARG A 113 5.447 -21.979 1.997 1.00 0.00 C ATOM 1692 NH1 ARG A 113 6.354 -22.102 1.038 1.00 0.00 N ATOM 1693 NH2 ARG A 113 5.481 -22.793 3.044 1.00 0.00 N ATOM 0 H ARG A 113 6.136 -18.124 1.651 1.00 0.00 H new ATOM 0 HA ARG A 113 4.198 -16.836 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.277 -18.379 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.799 -17.521 2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.402 -19.619 1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.960 -18.707 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 113 4.229 -20.664 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 113 5.339 -19.573 0.677 1.00 0.00 H new ATOM 0 HE ARG A 113 3.823 -20.976 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 113 6.331 -21.478 0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 113 7.075 -22.820 1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.785 -22.702 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.204 -23.510 3.109 1.00 0.00 H new ATOM 1707 N GLN A 114 4.936 -15.259 2.953 1.00 0.00 N ATOM 1708 CA GLN A 114 4.773 -13.999 3.669 1.00 0.00 C ATOM 1709 C GLN A 114 5.269 -12.827 2.829 1.00 0.00 C ATOM 1710 O GLN A 114 4.505 -11.921 2.497 1.00 0.00 O ATOM 1711 CB GLN A 114 5.526 -14.043 5.000 1.00 0.00 C ATOM 1712 CG GLN A 114 5.226 -12.861 5.907 1.00 0.00 C ATOM 1713 CD GLN A 114 4.011 -13.091 6.783 1.00 0.00 C ATOM 1714 OE1 GLN A 114 3.811 -14.185 7.313 1.00 0.00 O ATOM 1715 NE2 GLN A 114 3.191 -12.059 6.941 1.00 0.00 N ATOM 0 H GLN A 114 5.621 -15.893 3.365 1.00 0.00 H new ATOM 0 HA GLN A 114 3.710 -13.857 3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.271 -14.965 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.597 -14.075 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.092 -12.664 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.067 -11.972 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.395 -11.171 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.357 -12.154 7.520 1.00 0.00 H new ATOM 1724 N ALA A 115 6.553 -12.851 2.489 1.00 0.00 N ATOM 1725 CA ALA A 115 7.151 -11.791 1.686 1.00 0.00 C ATOM 1726 C ALA A 115 6.379 -11.584 0.388 1.00 0.00 C ATOM 1727 O ALA A 115 5.896 -10.486 0.110 1.00 0.00 O ATOM 1728 CB ALA A 115 8.609 -12.112 1.390 1.00 0.00 C ATOM 0 H ALA A 115 7.200 -13.593 2.757 1.00 0.00 H new ATOM 0 HA ALA A 115 7.103 -10.864 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.043 -11.312 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.159 -12.202 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.670 -13.052 0.841 1.00 0.00 H new ATOM 1734 N VAL A 116 6.266 -12.645 -0.405 1.00 0.00 N ATOM 1735 CA VAL A 116 5.552 -12.579 -1.674 1.00 0.00 C ATOM 1736 C VAL A 116 4.195 -11.906 -1.506 1.00 0.00 C ATOM 1737 O VAL A 116 3.795 -11.079 -2.326 1.00 0.00 O ATOM 1738 CB VAL A 116 5.346 -13.982 -2.275 1.00 0.00 C ATOM 1739 CG1 VAL A 116 4.525 -13.900 -3.553 1.00 0.00 C ATOM 1740 CG2 VAL A 116 6.687 -14.652 -2.536 1.00 0.00 C ATOM 0 H VAL A 116 6.660 -13.561 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 116 6.166 -11.987 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 116 4.796 -14.589 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.390 -14.901 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.551 -13.464 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.045 -13.277 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.522 -15.642 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.265 -14.049 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.235 -14.746 -1.599 1.00 0.00 H new ATOM 1750 N ALA A 117 3.490 -12.265 -0.438 1.00 0.00 N ATOM 1751 CA ALA A 117 2.178 -11.693 -0.161 1.00 0.00 C ATOM 1752 C ALA A 117 2.268 -10.184 0.039 1.00 0.00 C ATOM 1753 O ALA A 117 1.460 -9.428 -0.501 1.00 0.00 O ATOM 1754 CB ALA A 117 1.562 -12.354 1.063 1.00 0.00 C ATOM 0 H ALA A 117 3.806 -12.949 0.249 1.00 0.00 H new ATOM 0 HA ALA A 117 1.538 -11.881 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.583 -11.917 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.453 -13.423 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.209 -12.196 1.926 1.00 0.00 H new ATOM 1760 N TRP A 118 3.253 -9.753 0.818 1.00 0.00 N ATOM 1761 CA TRP A 118 3.447 -8.333 1.089 1.00 0.00 C ATOM 1762 C TRP A 118 3.837 -7.584 -0.181 1.00 0.00 C ATOM 1763 O TRP A 118 3.285 -6.526 -0.483 1.00 0.00 O ATOM 1764 CB TRP A 118 4.521 -8.140 2.161 1.00 0.00 C ATOM 1765 CG TRP A 118 4.639 -6.723 2.635 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.068 -6.183 3.753 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.370 -5.666 2.006 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.401 -4.854 3.855 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.200 -4.513 2.796 1.00 0.00 C ATOM 1770 CE3 TRP A 118 6.154 -5.581 0.852 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.784 -3.292 2.468 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.733 -4.369 0.527 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.546 -3.238 1.333 1.00 0.00 C ATOM 0 H TRP A 118 3.930 -10.366 1.273 1.00 0.00 H new ATOM 0 HA TRP A 118 2.504 -7.926 1.452 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.295 -8.783 3.012 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.483 -8.464 1.764 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.447 -6.722 4.453 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.102 -4.223 4.599 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.305 -6.447 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.641 -2.419 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.340 -4.292 -0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 118 7.013 -2.305 1.053 1.00 0.00 H new ATOM 1784 N LEU A 119 4.791 -8.140 -0.920 1.00 0.00 N ATOM 1785 CA LEU A 119 5.255 -7.524 -2.159 1.00 0.00 C ATOM 1786 C LEU A 119 4.078 -7.120 -3.040 1.00 0.00 C ATOM 1787 O LEU A 119 3.877 -5.939 -3.324 1.00 0.00 O ATOM 1788 CB LEU A 119 6.169 -8.487 -2.918 1.00 0.00 C ATOM 1789 CG LEU A 119 7.424 -8.947 -2.176 1.00 0.00 C ATOM 1790 CD1 LEU A 119 7.948 -10.247 -2.768 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.497 -7.868 -2.222 1.00 0.00 C ATOM 0 H LEU A 119 5.258 -9.015 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 119 5.817 -6.626 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.589 -9.369 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.476 -8.008 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 119 7.161 -9.126 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.841 -10.559 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.184 -11.020 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.195 -10.095 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.383 -8.213 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.757 -7.657 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.120 -6.960 -1.751 1.00 0.00 H new ATOM 1803 N VAL A 120 3.300 -8.109 -3.470 1.00 0.00 N ATOM 1804 CA VAL A 120 2.140 -7.856 -4.316 1.00 0.00 C ATOM 1805 C VAL A 120 1.120 -6.976 -3.603 1.00 0.00 C ATOM 1806 O VAL A 120 0.518 -6.090 -4.209 1.00 0.00 O ATOM 1807 CB VAL A 120 1.459 -9.171 -4.742 1.00 0.00 C ATOM 1808 CG1 VAL A 120 0.686 -9.773 -3.578 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.545 -8.935 -5.935 1.00 0.00 C ATOM 0 H VAL A 120 3.452 -9.092 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 120 2.503 -7.339 -5.204 1.00 0.00 H new ATOM 0 HB VAL A 120 2.231 -9.880 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.212 -10.701 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.370 -9.980 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.078 -9.070 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.072 -9.874 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.223 -8.209 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.130 -8.552 -6.771 1.00 0.00 H new ATOM 1819 N ALA A 121 0.932 -7.226 -2.311 1.00 0.00 N ATOM 1820 CA ALA A 121 -0.013 -6.454 -1.514 1.00 0.00 C ATOM 1821 C ALA A 121 0.303 -4.964 -1.578 1.00 0.00 C ATOM 1822 O ALA A 121 -0.599 -4.132 -1.675 1.00 0.00 O ATOM 1823 CB ALA A 121 -0.004 -6.936 -0.071 1.00 0.00 C ATOM 0 H ALA A 121 1.422 -7.957 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.009 -6.605 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.714 -6.351 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.287 -7.988 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.995 -6.815 0.347 1.00 0.00 H new ATOM 1829 N MET A 122 1.589 -4.633 -1.521 1.00 0.00 N ATOM 1830 CA MET A 122 2.023 -3.242 -1.573 1.00 0.00 C ATOM 1831 C MET A 122 1.611 -2.593 -2.891 1.00 0.00 C ATOM 1832 O MET A 122 0.932 -1.566 -2.902 1.00 0.00 O ATOM 1833 CB MET A 122 3.541 -3.153 -1.400 1.00 0.00 C ATOM 1834 CG MET A 122 4.041 -1.739 -1.149 1.00 0.00 C ATOM 1835 SD MET A 122 3.170 -0.923 0.202 1.00 0.00 S ATOM 1836 CE MET A 122 3.428 0.798 -0.219 1.00 0.00 C ATOM 0 H MET A 122 2.348 -5.309 -1.439 1.00 0.00 H new ATOM 0 HA MET A 122 1.539 -2.705 -0.757 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.842 -3.789 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.024 -3.548 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.107 -1.770 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.925 -1.150 -2.059 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.433 1.398 0.691 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.384 0.908 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.625 1.137 -0.873 1.00 0.00 H new ATOM 1846 N HIS A 123 2.027 -3.198 -3.999 1.00 0.00 N ATOM 1847 CA HIS A 123 1.701 -2.678 -5.322 1.00 0.00 C ATOM 1848 C HIS A 123 0.189 -2.595 -5.516 1.00 0.00 C ATOM 1849 O HIS A 123 -0.349 -1.536 -5.839 1.00 0.00 O ATOM 1850 CB HIS A 123 2.317 -3.561 -6.407 1.00 0.00 C ATOM 1851 CG HIS A 123 2.107 -3.040 -7.795 1.00 0.00 C ATOM 1852 ND1 HIS A 123 0.861 -2.753 -8.311 1.00 0.00 N ATOM 1853 CD2 HIS A 123 2.994 -2.753 -8.777 1.00 0.00 C ATOM 1854 CE1 HIS A 123 0.990 -2.313 -9.550 1.00 0.00 C ATOM 1855 NE2 HIS A 123 2.275 -2.303 -9.856 1.00 0.00 N ATOM 0 H HIS A 123 2.590 -4.048 -4.007 1.00 0.00 H new ATOM 0 HA HIS A 123 2.116 -1.673 -5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.387 -3.657 -6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.890 -4.561 -6.335 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.067 -2.859 -8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.183 -2.013 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.669 -2.009 -10.750 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.490 -3.719 -5.316 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.939 -3.774 -5.468 1.00 0.00 C ATOM 1865 C LYS A 124 -2.600 -2.555 -4.833 1.00 0.00 C ATOM 1866 O LYS A 124 -3.303 -1.798 -5.503 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.491 -5.054 -4.834 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.456 -6.256 -5.762 1.00 0.00 C ATOM 1869 CD LYS A 124 -3.498 -6.140 -6.863 1.00 0.00 C ATOM 1870 CE LYS A 124 -3.091 -6.927 -8.099 1.00 0.00 C ATOM 1871 NZ LYS A 124 -4.038 -6.714 -9.228 1.00 0.00 N ATOM 0 H LYS A 124 -0.060 -4.604 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.167 -3.775 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.916 -5.282 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.520 -4.879 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -1.465 -6.346 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -2.632 -7.166 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.458 -6.505 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -3.635 -5.091 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -2.088 -6.630 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -3.048 -7.989 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.419 -7.630 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -4.819 -6.102 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -3.538 -6.261 -10.019 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.369 -2.369 -3.538 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.938 -1.239 -2.814 1.00 0.00 C ATOM 1887 C ALA A 125 -2.428 0.084 -3.373 1.00 0.00 C ATOM 1888 O ALA A 125 -3.189 1.039 -3.528 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.618 -1.347 -1.331 1.00 0.00 C ATOM 0 H ALA A 125 -1.791 -2.987 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.020 -1.264 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.049 -0.497 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -3.038 -2.271 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.537 -1.351 -1.191 1.00 0.00 H new ATOM 1895 N ALA A 126 -1.134 0.135 -3.673 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.523 1.342 -4.216 1.00 0.00 C ATOM 1897 C ALA A 126 -1.402 1.965 -5.295 1.00 0.00 C ATOM 1898 O ALA A 126 -1.475 3.187 -5.422 1.00 0.00 O ATOM 1899 CB ALA A 126 0.858 1.029 -4.773 1.00 0.00 C ATOM 0 H ALA A 126 -0.489 -0.645 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.421 2.064 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.303 1.939 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.491 0.637 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 126 0.771 0.287 -5.566 1.00 0.00 H new ATOM 1905 N LYS A 127 -2.068 1.117 -6.072 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.943 1.583 -7.141 1.00 0.00 C ATOM 1907 C LYS A 127 -4.125 2.364 -6.575 1.00 0.00 C ATOM 1908 O LYS A 127 -4.423 3.471 -7.024 1.00 0.00 O ATOM 1909 CB LYS A 127 -3.449 0.399 -7.967 1.00 0.00 C ATOM 1910 CG LYS A 127 -2.340 -0.389 -8.644 1.00 0.00 C ATOM 1911 CD LYS A 127 -2.851 -1.131 -9.868 1.00 0.00 C ATOM 1912 CE LYS A 127 -3.405 -2.499 -9.499 1.00 0.00 C ATOM 1913 NZ LYS A 127 -3.490 -3.400 -10.681 1.00 0.00 N ATOM 0 H LYS A 127 -2.018 0.102 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.366 2.247 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -4.015 -0.270 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.139 0.766 -8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -1.537 0.288 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.914 -1.101 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -3.628 -0.541 -10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.042 -1.247 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.770 -2.955 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -4.395 -2.383 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.872 -4.322 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -4.116 -2.977 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.541 -3.531 -11.086 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.794 1.781 -5.586 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.943 2.423 -4.957 1.00 0.00 C ATOM 1929 C LEU A 128 -5.593 3.834 -4.497 1.00 0.00 C ATOM 1930 O LEU A 128 -6.336 4.784 -4.752 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.429 1.591 -3.768 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.323 0.398 -4.105 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.296 -0.624 -2.978 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.748 0.858 -4.376 1.00 0.00 C ATOM 0 H LEU A 128 -4.561 0.865 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.742 2.490 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.557 1.225 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.974 2.247 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.938 -0.076 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.938 -1.466 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.275 -0.977 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.655 -0.161 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.370 -0.005 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.144 1.357 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.753 1.552 -5.217 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.459 3.966 -3.819 1.00 0.00 N ATOM 1947 CA LEU A 129 -4.009 5.262 -3.324 1.00 0.00 C ATOM 1948 C LEU A 129 -4.125 6.329 -4.409 1.00 0.00 C ATOM 1949 O LEU A 129 -4.829 7.324 -4.242 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.562 5.170 -2.836 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.372 4.779 -1.370 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.893 4.659 -1.037 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -3.046 5.793 -0.456 1.00 0.00 C ATOM 0 H LEU A 129 -3.834 3.191 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.650 5.547 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.036 4.444 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -2.083 6.135 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.839 3.808 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.777 4.380 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.439 3.895 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.401 5.616 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.901 5.499 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.608 6.778 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.113 5.829 -0.677 1.00 0.00 H new ATOM 1965 N TYR A 130 -3.430 6.112 -5.520 1.00 0.00 N ATOM 1966 CA TYR A 130 -3.455 7.055 -6.632 1.00 0.00 C ATOM 1967 C TYR A 130 -4.795 7.004 -7.360 1.00 0.00 C ATOM 1968 O TYR A 130 -5.528 7.991 -7.402 1.00 0.00 O ATOM 1969 CB TYR A 130 -2.319 6.752 -7.610 1.00 0.00 C ATOM 1970 CG TYR A 130 -1.100 6.143 -6.953 1.00 0.00 C ATOM 1971 CD1 TYR A 130 -0.638 6.614 -5.731 1.00 0.00 C ATOM 1972 CD2 TYR A 130 -0.412 5.097 -7.555 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.476 6.062 -5.128 1.00 0.00 C ATOM 1974 CE2 TYR A 130 0.701 4.538 -6.958 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.142 5.024 -5.745 1.00 0.00 C ATOM 1976 OH TYR A 130 2.250 4.470 -5.147 1.00 0.00 O ATOM 0 H TYR A 130 -2.843 5.292 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.320 8.058 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -2.685 6.072 -8.379 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -2.028 7.674 -8.113 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -1.158 7.425 -5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -0.753 4.715 -8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 130 0.823 6.442 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 130 1.223 3.724 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 130 2.168 4.545 -4.173 1.00 0.00 H new