USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 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 62 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0425 (180deg=-0.362) USER MOD Single : A 14 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= -0.0571 (180deg=-0.203) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 30 ASN : amide:sc=-0.00435 X(o=-0.0044,f=-0.22) USER MOD Single : A 31 SER OG : rot -109:sc= 0.618 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 173:sc= -1.06 (180deg=-1.12) USER MOD Single : A 39 CYS SG : rot 0:sc= -2.75 USER MOD Single : A 42 SER OG : rot 180:sc= 0.444 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS :FLIP no HE2:sc= -0.0627 F(o=-2.4!,f=-0.063) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 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) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -142:sc= -1.98 (180deg=-6.06!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -9.41! C(o=-9.4!,f=-17!) USER MOD Single : A 122 MET CE :methyl -132:sc= -0.601 (180deg=-3.75!) USER MOD Single : A 123 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=-0.0083) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.671 -9.296 3.382 1.00 0.00 N ATOM 145 CA LYS A 13 -6.535 -10.112 3.794 1.00 0.00 C ATOM 146 C LYS A 13 -5.227 -9.343 3.638 1.00 0.00 C ATOM 147 O LYS A 13 -4.420 -9.279 4.564 1.00 0.00 O ATOM 148 CB LYS A 13 -6.482 -11.402 2.972 1.00 0.00 C ATOM 149 CG LYS A 13 -7.417 -12.485 3.479 1.00 0.00 C ATOM 150 CD LYS A 13 -7.278 -13.765 2.672 1.00 0.00 C ATOM 151 CE LYS A 13 -6.148 -14.636 3.199 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.456 -15.188 4.548 1.00 0.00 N ATOM 0 HA LYS A 13 -6.664 -10.364 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.732 -11.173 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.461 -11.784 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.203 -12.690 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.447 -12.131 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.214 -14.322 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.092 -13.519 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.967 -15.456 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.230 -14.050 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.879 -16.037 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.240 -14.474 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.464 -15.439 4.599 1.00 0.00 H new ATOM 166 N GLN A 14 -5.026 -8.759 2.460 1.00 0.00 N ATOM 167 CA GLN A 14 -3.817 -7.993 2.184 1.00 0.00 C ATOM 168 C GLN A 14 -3.584 -6.937 3.259 1.00 0.00 C ATOM 169 O GLN A 14 -2.443 -6.593 3.570 1.00 0.00 O ATOM 170 CB GLN A 14 -3.911 -7.328 0.810 1.00 0.00 C ATOM 171 CG GLN A 14 -4.042 -8.317 -0.337 1.00 0.00 C ATOM 172 CD GLN A 14 -3.605 -7.731 -1.665 1.00 0.00 C ATOM 173 OE1 GLN A 14 -2.579 -8.121 -2.222 1.00 0.00 O ATOM 174 NE2 GLN A 14 -4.385 -6.788 -2.181 1.00 0.00 N ATOM 0 H GLN A 14 -5.685 -8.802 1.683 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.972 -8.682 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.769 -6.656 0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.024 -6.715 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.443 -9.201 -0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.079 -8.645 -0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.227 -6.495 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.142 -6.357 -3.073 1.00 0.00 H new ATOM 183 N LEU A 15 -4.672 -6.424 3.823 1.00 0.00 N ATOM 184 CA LEU A 15 -4.588 -5.405 4.863 1.00 0.00 C ATOM 185 C LEU A 15 -3.693 -5.869 6.008 1.00 0.00 C ATOM 186 O LEU A 15 -2.691 -5.228 6.327 1.00 0.00 O ATOM 187 CB LEU A 15 -5.983 -5.073 5.394 1.00 0.00 C ATOM 188 CG LEU A 15 -7.003 -4.605 4.355 1.00 0.00 C ATOM 189 CD1 LEU A 15 -8.337 -4.297 5.017 1.00 0.00 C ATOM 190 CD2 LEU A 15 -6.482 -3.385 3.609 1.00 0.00 C ATOM 0 H LEU A 15 -5.623 -6.697 3.577 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.151 -4.508 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.381 -5.958 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.886 -4.297 6.153 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.155 -5.409 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.050 -3.966 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.717 -5.194 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.202 -3.510 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.220 -3.065 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.301 -2.576 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.551 -3.639 3.102 1.00 0.00 H new ATOM 202 N LYS A 16 -4.059 -6.989 6.622 1.00 0.00 N ATOM 203 CA LYS A 16 -3.289 -7.543 7.729 1.00 0.00 C ATOM 204 C LYS A 16 -1.899 -7.967 7.266 1.00 0.00 C ATOM 205 O LYS A 16 -0.912 -7.780 7.979 1.00 0.00 O ATOM 206 CB LYS A 16 -4.022 -8.740 8.339 1.00 0.00 C ATOM 207 CG LYS A 16 -4.284 -9.861 7.349 1.00 0.00 C ATOM 208 CD LYS A 16 -4.590 -11.170 8.058 1.00 0.00 C ATOM 209 CE LYS A 16 -5.299 -12.151 7.136 1.00 0.00 C ATOM 210 NZ LYS A 16 -6.778 -11.990 7.188 1.00 0.00 N ATOM 0 H LYS A 16 -4.886 -7.532 6.371 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.180 -6.767 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.434 -9.130 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.972 -8.402 8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.121 -9.591 6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.414 -9.990 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.663 -11.614 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.212 -10.975 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.953 -12.003 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.034 -13.170 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.229 -12.750 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.098 -12.038 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.041 -11.069 6.784 1.00 0.00 H new ATOM 224 N VAL A 17 -1.827 -8.537 6.068 1.00 0.00 N ATOM 225 CA VAL A 17 -0.557 -8.985 5.509 1.00 0.00 C ATOM 226 C VAL A 17 0.424 -7.825 5.375 1.00 0.00 C ATOM 227 O VAL A 17 1.613 -7.967 5.664 1.00 0.00 O ATOM 228 CB VAL A 17 -0.751 -9.640 4.129 1.00 0.00 C ATOM 229 CG1 VAL A 17 0.593 -10.003 3.516 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.643 -10.868 4.243 1.00 0.00 C ATOM 0 H VAL A 17 -2.634 -8.700 5.465 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.150 -9.724 6.200 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.241 -8.922 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.436 -10.465 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.194 -9.102 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.114 -10.703 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.770 -11.318 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.183 -11.591 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.617 -10.575 4.636 1.00 0.00 H new ATOM 240 N LEU A 18 -0.082 -6.678 4.936 1.00 0.00 N ATOM 241 CA LEU A 18 0.750 -5.492 4.764 1.00 0.00 C ATOM 242 C LEU A 18 1.242 -4.971 6.111 1.00 0.00 C ATOM 243 O LEU A 18 2.446 -4.880 6.351 1.00 0.00 O ATOM 244 CB LEU A 18 -0.033 -4.397 4.037 1.00 0.00 C ATOM 245 CG LEU A 18 -0.082 -4.507 2.512 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.943 -3.400 1.925 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.322 -4.460 1.928 1.00 0.00 C ATOM 0 H LEU A 18 -1.063 -6.544 4.693 1.00 0.00 H new ATOM 0 HA LEU A 18 1.617 -5.771 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.056 -4.398 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.402 -3.432 4.298 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.530 -5.465 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.966 -3.494 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.957 -3.480 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.524 -2.431 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.267 -4.540 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.798 -3.517 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.909 -5.289 2.323 1.00 0.00 H new ATOM 259 N LEU A 19 0.302 -4.633 6.987 1.00 0.00 N ATOM 260 CA LEU A 19 0.640 -4.124 8.312 1.00 0.00 C ATOM 261 C LEU A 19 1.571 -5.085 9.044 1.00 0.00 C ATOM 262 O LEU A 19 2.586 -4.674 9.607 1.00 0.00 O ATOM 263 CB LEU A 19 -0.631 -3.903 9.134 1.00 0.00 C ATOM 264 CG LEU A 19 -1.686 -2.991 8.506 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.022 -3.154 9.214 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.231 -1.539 8.551 1.00 0.00 C ATOM 0 H LEU A 19 -0.699 -4.702 6.804 1.00 0.00 H new ATOM 0 HA LEU A 19 1.156 -3.172 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.088 -4.874 9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.347 -3.485 10.100 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.813 -3.279 7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.760 -2.497 8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.354 -4.189 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.910 -2.893 10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.994 -0.904 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.075 -1.238 9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.298 -1.433 7.998 1.00 0.00 H new ATOM 278 N SER A 20 1.220 -6.367 9.030 1.00 0.00 N ATOM 279 CA SER A 20 2.024 -7.387 9.693 1.00 0.00 C ATOM 280 C SER A 20 3.509 -7.051 9.604 1.00 0.00 C ATOM 281 O SER A 20 4.227 -7.092 10.602 1.00 0.00 O ATOM 282 CB SER A 20 1.761 -8.759 9.070 1.00 0.00 C ATOM 283 OG SER A 20 2.365 -9.790 9.832 1.00 0.00 O ATOM 0 H SER A 20 0.384 -6.724 8.567 1.00 0.00 H new ATOM 0 HA SER A 20 1.738 -7.413 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.687 -8.932 9.005 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.149 -8.780 8.052 1.00 0.00 H new ATOM 0 HG SER A 20 2.181 -10.657 9.414 1.00 0.00 H new ATOM 289 N GLY A 21 3.963 -6.719 8.399 1.00 0.00 N ATOM 290 CA GLY A 21 5.360 -6.382 8.200 1.00 0.00 C ATOM 291 C GLY A 21 6.209 -7.594 7.873 1.00 0.00 C ATOM 292 O GLY A 21 6.229 -8.567 8.626 1.00 0.00 O ATOM 0 H GLY A 21 3.388 -6.678 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.443 -5.655 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.747 -5.904 9.100 1.00 0.00 H new ATOM 296 N ALA A 22 6.911 -7.537 6.746 1.00 0.00 N ATOM 297 CA ALA A 22 7.765 -8.639 6.321 1.00 0.00 C ATOM 298 C ALA A 22 9.215 -8.187 6.180 1.00 0.00 C ATOM 299 O ALA A 22 9.492 -7.000 5.999 1.00 0.00 O ATOM 300 CB ALA A 22 7.262 -9.222 5.009 1.00 0.00 C ATOM 0 H ALA A 22 6.905 -6.739 6.111 1.00 0.00 H new ATOM 0 HA ALA A 22 7.726 -9.413 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.910 -10.044 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.245 -9.591 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.270 -8.449 4.240 1.00 0.00 H new ATOM 306 N THR A 23 10.138 -9.139 6.264 1.00 0.00 N ATOM 307 CA THR A 23 11.559 -8.838 6.148 1.00 0.00 C ATOM 308 C THR A 23 12.010 -8.869 4.692 1.00 0.00 C ATOM 309 O THR A 23 11.500 -9.651 3.890 1.00 0.00 O ATOM 310 CB THR A 23 12.412 -9.833 6.959 1.00 0.00 C ATOM 311 OG1 THR A 23 11.935 -9.901 8.307 1.00 0.00 O ATOM 312 CG2 THR A 23 13.876 -9.419 6.954 1.00 0.00 C ATOM 0 H THR A 23 9.927 -10.126 6.412 1.00 0.00 H new ATOM 0 HA THR A 23 11.704 -7.835 6.549 1.00 0.00 H new ATOM 0 HB THR A 23 12.327 -10.815 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.481 -10.536 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.459 -10.136 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.244 -9.396 5.928 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.975 -8.428 7.398 1.00 0.00 H new ATOM 320 N PHE A 24 12.971 -8.014 4.357 1.00 0.00 N ATOM 321 CA PHE A 24 13.491 -7.943 2.996 1.00 0.00 C ATOM 322 C PHE A 24 14.905 -7.371 2.984 1.00 0.00 C ATOM 323 O PHE A 24 15.314 -6.675 3.914 1.00 0.00 O ATOM 324 CB PHE A 24 12.574 -7.086 2.121 1.00 0.00 C ATOM 325 CG PHE A 24 11.143 -7.543 2.125 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.748 -8.633 1.366 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.193 -6.883 2.888 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.432 -9.055 1.367 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.876 -7.301 2.894 1.00 0.00 C ATOM 330 CZ PHE A 24 8.495 -8.389 2.133 1.00 0.00 C ATOM 0 H PHE A 24 13.405 -7.361 5.009 1.00 0.00 H new ATOM 0 HA PHE A 24 13.524 -8.955 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.618 -6.053 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.948 -7.097 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.477 -9.159 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.485 -6.032 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.136 -9.905 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.145 -6.778 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.466 -8.718 2.137 1.00 0.00 H new ATOM 340 N LEU A 25 15.648 -7.669 1.923 1.00 0.00 N ATOM 341 CA LEU A 25 17.018 -7.185 1.788 1.00 0.00 C ATOM 342 C LEU A 25 17.042 -5.778 1.198 1.00 0.00 C ATOM 343 O LEU A 25 16.628 -5.564 0.059 1.00 0.00 O ATOM 344 CB LEU A 25 17.830 -8.134 0.907 1.00 0.00 C ATOM 345 CG LEU A 25 18.518 -9.295 1.627 1.00 0.00 C ATOM 346 CD1 LEU A 25 19.407 -10.069 0.665 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.328 -8.784 2.810 1.00 0.00 C ATOM 0 H LEU A 25 15.325 -8.243 1.144 1.00 0.00 H new ATOM 0 HA LEU A 25 17.465 -7.150 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.168 -8.546 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.592 -7.553 0.387 1.00 0.00 H new ATOM 0 HG LEU A 25 17.749 -9.971 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.888 -10.891 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.802 -10.467 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.169 -9.404 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.810 -9.624 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.088 -8.087 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.667 -8.275 3.511 1.00 0.00 H new ATOM 359 N VAL A 26 17.534 -4.822 1.980 1.00 0.00 N ATOM 360 CA VAL A 26 17.616 -3.437 1.534 1.00 0.00 C ATOM 361 C VAL A 26 19.039 -3.076 1.123 1.00 0.00 C ATOM 362 O VAL A 26 19.976 -3.197 1.913 1.00 0.00 O ATOM 363 CB VAL A 26 17.149 -2.464 2.634 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.246 -1.025 2.151 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.729 -2.795 3.068 1.00 0.00 C ATOM 0 H VAL A 26 17.882 -4.982 2.925 1.00 0.00 H new ATOM 0 HA VAL A 26 16.956 -3.343 0.672 1.00 0.00 H new ATOM 0 HB VAL A 26 17.805 -2.576 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.912 -0.353 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.280 -0.797 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.615 -0.893 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.414 -2.099 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.058 -2.711 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.695 -3.813 3.457 1.00 0.00 H new ATOM 375 N THR A 27 19.195 -2.630 -0.120 1.00 0.00 N ATOM 376 CA THR A 27 20.504 -2.251 -0.638 1.00 0.00 C ATOM 377 C THR A 27 20.664 -0.736 -0.672 1.00 0.00 C ATOM 378 O THR A 27 19.900 -0.036 -1.336 1.00 0.00 O ATOM 379 CB THR A 27 20.731 -2.812 -2.054 1.00 0.00 C ATOM 380 OG1 THR A 27 20.296 -4.175 -2.117 1.00 0.00 O ATOM 381 CG2 THR A 27 22.200 -2.726 -2.440 1.00 0.00 C ATOM 0 H THR A 27 18.431 -2.522 -0.787 1.00 0.00 H new ATOM 0 HA THR A 27 21.247 -2.677 0.037 1.00 0.00 H new ATOM 0 HB THR A 27 20.151 -2.213 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.442 -4.524 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.337 -3.128 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.521 -1.685 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.796 -3.304 -1.734 1.00 0.00 H new ATOM 389 N PHE A 28 21.662 -0.235 0.048 1.00 0.00 N ATOM 390 CA PHE A 28 21.923 1.199 0.100 1.00 0.00 C ATOM 391 C PHE A 28 23.023 1.588 -0.882 1.00 0.00 C ATOM 392 O PHE A 28 24.092 0.979 -0.907 1.00 0.00 O ATOM 393 CB PHE A 28 22.319 1.616 1.518 1.00 0.00 C ATOM 394 CG PHE A 28 21.224 1.421 2.528 1.00 0.00 C ATOM 395 CD1 PHE A 28 20.143 2.287 2.573 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.275 0.372 3.432 1.00 0.00 C ATOM 397 CE1 PHE A 28 19.135 2.110 3.502 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.269 0.190 4.362 1.00 0.00 C ATOM 399 CZ PHE A 28 19.197 1.060 4.397 1.00 0.00 C ATOM 0 H PHE A 28 22.304 -0.801 0.604 1.00 0.00 H new ATOM 0 HA PHE A 28 21.008 1.719 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.193 1.042 1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.613 2.666 1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.088 3.109 1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 28 22.111 -0.312 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 28 18.299 2.793 3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.321 -0.632 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.409 0.920 5.122 1.00 0.00 H new ATOM 409 N GLY A 29 22.753 2.607 -1.692 1.00 0.00 N ATOM 410 CA GLY A 29 23.729 3.060 -2.666 1.00 0.00 C ATOM 411 C GLY A 29 25.142 3.048 -2.119 1.00 0.00 C ATOM 412 O GLY A 29 26.094 2.768 -2.847 1.00 0.00 O ATOM 0 H GLY A 29 21.876 3.127 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.679 2.423 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.475 4.070 -2.987 1.00 0.00 H new ATOM 416 N ASN A 30 25.281 3.355 -0.833 1.00 0.00 N ATOM 417 CA ASN A 30 26.589 3.380 -0.190 1.00 0.00 C ATOM 418 C ASN A 30 27.143 1.968 -0.027 1.00 0.00 C ATOM 419 O ASN A 30 28.306 1.707 -0.334 1.00 0.00 O ATOM 420 CB ASN A 30 26.496 4.064 1.175 1.00 0.00 C ATOM 421 CG ASN A 30 27.746 3.861 2.010 1.00 0.00 C ATOM 422 OD1 ASN A 30 28.864 3.933 1.500 1.00 0.00 O ATOM 423 ND2 ASN A 30 27.561 3.605 3.300 1.00 0.00 N ATOM 0 H ASN A 30 24.503 3.590 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 30 27.268 3.946 -0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.327 5.131 1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.634 3.674 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 30 28.364 3.459 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 30 26.616 3.555 3.679 1.00 0.00 H new ATOM 430 N SER A 31 26.301 1.060 0.456 1.00 0.00 N ATOM 431 CA SER A 31 26.706 -0.325 0.663 1.00 0.00 C ATOM 432 C SER A 31 26.387 -1.174 -0.564 1.00 0.00 C ATOM 433 O SER A 31 25.291 -1.093 -1.119 1.00 0.00 O ATOM 434 CB SER A 31 26.008 -0.905 1.894 1.00 0.00 C ATOM 435 OG SER A 31 26.505 -2.196 2.203 1.00 0.00 O ATOM 0 H SER A 31 25.334 1.259 0.711 1.00 0.00 H new ATOM 0 HA SER A 31 27.784 -0.341 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 31 26.156 -0.242 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 31 24.934 -0.959 1.715 1.00 0.00 H new ATOM 0 HG SER A 31 25.823 -2.868 1.994 1.00 0.00 H new ATOM 441 N GLU A 32 27.352 -1.987 -0.981 1.00 0.00 N ATOM 442 CA GLU A 32 27.173 -2.850 -2.143 1.00 0.00 C ATOM 443 C GLU A 32 26.312 -4.061 -1.795 1.00 0.00 C ATOM 444 O GLU A 32 25.620 -4.612 -2.651 1.00 0.00 O ATOM 445 CB GLU A 32 28.531 -3.313 -2.676 1.00 0.00 C ATOM 446 CG GLU A 32 29.469 -2.170 -3.026 1.00 0.00 C ATOM 447 CD GLU A 32 29.155 -1.548 -4.373 1.00 0.00 C ATOM 448 OE1 GLU A 32 29.051 -2.300 -5.364 1.00 0.00 O ATOM 449 OE2 GLU A 32 29.012 -0.309 -4.435 1.00 0.00 O ATOM 0 H GLU A 32 28.265 -2.066 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 32 26.664 -2.274 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 32 29.008 -3.948 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 32 28.374 -3.927 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 32 29.406 -1.404 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 32 30.496 -2.536 -3.030 1.00 0.00 H new ATOM 456 N LYS A 33 26.360 -4.469 -0.531 1.00 0.00 N ATOM 457 CA LYS A 33 25.585 -5.614 -0.067 1.00 0.00 C ATOM 458 C LYS A 33 24.399 -5.161 0.779 1.00 0.00 C ATOM 459 O LYS A 33 24.523 -4.308 1.658 1.00 0.00 O ATOM 460 CB LYS A 33 26.472 -6.561 0.745 1.00 0.00 C ATOM 461 CG LYS A 33 25.697 -7.448 1.704 1.00 0.00 C ATOM 462 CD LYS A 33 26.556 -8.585 2.230 1.00 0.00 C ATOM 463 CE LYS A 33 26.712 -9.690 1.197 1.00 0.00 C ATOM 464 NZ LYS A 33 25.510 -10.567 1.137 1.00 0.00 N ATOM 0 H LYS A 33 26.927 -4.024 0.190 1.00 0.00 H new ATOM 0 HA LYS A 33 25.205 -6.142 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.040 -7.190 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.195 -5.973 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.332 -6.850 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 33 24.822 -7.856 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.539 -8.202 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.107 -8.993 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.888 -9.248 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 27.589 -10.291 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.656 -11.307 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.356 -11.009 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.678 -9.998 0.882 1.00 0.00 H new ATOM 478 N PRO A 34 23.222 -5.745 0.510 1.00 0.00 N ATOM 479 CA PRO A 34 21.992 -5.418 1.236 1.00 0.00 C ATOM 480 C PRO A 34 22.020 -5.915 2.678 1.00 0.00 C ATOM 481 O PRO A 34 22.895 -6.693 3.058 1.00 0.00 O ATOM 482 CB PRO A 34 20.906 -6.147 0.441 1.00 0.00 C ATOM 483 CG PRO A 34 21.616 -7.273 -0.227 1.00 0.00 C ATOM 484 CD PRO A 34 23.002 -6.770 -0.524 1.00 0.00 C ATOM 0 HA PRO A 34 21.836 -4.342 1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.114 -6.511 1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.438 -5.486 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 34 21.649 -8.151 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 34 21.104 -7.569 -1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 34 23.741 -7.569 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.071 -6.350 -1.527 1.00 0.00 H new ATOM 492 N GLU A 35 21.058 -5.462 3.475 1.00 0.00 N ATOM 493 CA GLU A 35 20.974 -5.861 4.874 1.00 0.00 C ATOM 494 C GLU A 35 19.552 -6.279 5.237 1.00 0.00 C ATOM 495 O GLU A 35 18.581 -5.777 4.670 1.00 0.00 O ATOM 496 CB GLU A 35 21.429 -4.717 5.783 1.00 0.00 C ATOM 497 CG GLU A 35 21.216 -4.992 7.262 1.00 0.00 C ATOM 498 CD GLU A 35 22.176 -6.031 7.806 1.00 0.00 C ATOM 499 OE1 GLU A 35 22.407 -7.045 7.114 1.00 0.00 O ATOM 500 OE2 GLU A 35 22.697 -5.831 8.923 1.00 0.00 O ATOM 0 H GLU A 35 20.326 -4.818 3.175 1.00 0.00 H new ATOM 0 HA GLU A 35 21.634 -6.716 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.487 -4.523 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.889 -3.810 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 35 21.336 -4.064 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 35 20.192 -5.330 7.421 1.00 0.00 H new ATOM 507 N THR A 36 19.437 -7.203 6.186 1.00 0.00 N ATOM 508 CA THR A 36 18.135 -7.690 6.624 1.00 0.00 C ATOM 509 C THR A 36 17.349 -6.595 7.336 1.00 0.00 C ATOM 510 O THR A 36 17.655 -6.239 8.474 1.00 0.00 O ATOM 511 CB THR A 36 18.276 -8.901 7.566 1.00 0.00 C ATOM 512 OG1 THR A 36 19.137 -9.882 6.977 1.00 0.00 O ATOM 513 CG2 THR A 36 16.918 -9.520 7.858 1.00 0.00 C ATOM 0 H THR A 36 20.230 -7.629 6.666 1.00 0.00 H new ATOM 0 HA THR A 36 17.595 -7.997 5.728 1.00 0.00 H new ATOM 0 HB THR A 36 18.709 -8.555 8.505 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.223 -10.648 7.583 1.00 0.00 H new ATOM 0 HG21 THR A 36 17.043 -10.373 8.525 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.275 -8.779 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.461 -9.852 6.926 1.00 0.00 H new ATOM 521 N MET A 37 16.336 -6.065 6.660 1.00 0.00 N ATOM 522 CA MET A 37 15.504 -5.012 7.230 1.00 0.00 C ATOM 523 C MET A 37 14.024 -5.334 7.058 1.00 0.00 C ATOM 524 O MET A 37 13.623 -5.955 6.073 1.00 0.00 O ATOM 525 CB MET A 37 15.826 -3.668 6.574 1.00 0.00 C ATOM 526 CG MET A 37 17.219 -3.153 6.894 1.00 0.00 C ATOM 527 SD MET A 37 17.342 -1.358 6.769 1.00 0.00 S ATOM 528 CE MET A 37 16.877 -0.871 8.429 1.00 0.00 C ATOM 0 H MET A 37 16.071 -6.347 5.716 1.00 0.00 H new ATOM 0 HA MET A 37 15.721 -4.949 8.296 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.724 -3.767 5.493 1.00 0.00 H new ATOM 0 HB3 MET A 37 15.092 -2.930 6.897 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.494 -3.463 7.902 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.937 -3.611 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.024 0.202 8.548 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.828 -1.115 8.599 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.495 -1.404 9.151 1.00 0.00 H new ATOM 538 N THR A 38 13.213 -4.909 8.022 1.00 0.00 N ATOM 539 CA THR A 38 11.777 -5.153 7.978 1.00 0.00 C ATOM 540 C THR A 38 11.030 -3.944 7.428 1.00 0.00 C ATOM 541 O THR A 38 11.270 -2.811 7.848 1.00 0.00 O ATOM 542 CB THR A 38 11.222 -5.495 9.373 1.00 0.00 C ATOM 543 OG1 THR A 38 11.970 -6.572 9.948 1.00 0.00 O ATOM 544 CG2 THR A 38 9.752 -5.879 9.292 1.00 0.00 C ATOM 0 H THR A 38 13.527 -4.393 8.844 1.00 0.00 H new ATOM 0 HA THR A 38 11.622 -6.004 7.315 1.00 0.00 H new ATOM 0 HB THR A 38 11.316 -4.611 10.003 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.612 -6.782 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.382 -6.116 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.181 -5.046 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.638 -6.750 8.646 1.00 0.00 H new ATOM 552 N CYS A 39 10.125 -4.190 6.489 1.00 0.00 N ATOM 553 CA CYS A 39 9.342 -3.120 5.881 1.00 0.00 C ATOM 554 C CYS A 39 7.858 -3.286 6.195 1.00 0.00 C ATOM 555 O CYS A 39 7.279 -4.347 5.961 1.00 0.00 O ATOM 556 CB CYS A 39 9.556 -3.099 4.367 1.00 0.00 C ATOM 557 SG CYS A 39 9.401 -1.459 3.622 1.00 0.00 S ATOM 0 H CYS A 39 9.914 -5.122 6.131 1.00 0.00 H new ATOM 0 HA CYS A 39 9.680 -2.173 6.301 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.547 -3.495 4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.834 -3.768 3.899 1.00 0.00 H new ATOM 0 HG CYS A 39 9.127 -0.587 4.546 1.00 0.00 H new ATOM 563 N ARG A 40 7.250 -2.231 6.726 1.00 0.00 N ATOM 564 CA ARG A 40 5.834 -2.261 7.075 1.00 0.00 C ATOM 565 C ARG A 40 5.164 -0.931 6.742 1.00 0.00 C ATOM 566 O ARG A 40 5.837 0.064 6.470 1.00 0.00 O ATOM 567 CB ARG A 40 5.660 -2.574 8.562 1.00 0.00 C ATOM 568 CG ARG A 40 6.089 -1.440 9.478 1.00 0.00 C ATOM 569 CD ARG A 40 6.329 -1.930 10.897 1.00 0.00 C ATOM 570 NE ARG A 40 5.079 -2.143 11.621 1.00 0.00 N ATOM 571 CZ ARG A 40 4.991 -2.847 12.744 1.00 0.00 C ATOM 572 NH1 ARG A 40 6.075 -3.403 13.269 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.817 -2.997 13.345 1.00 0.00 N ATOM 0 H ARG A 40 7.715 -1.345 6.924 1.00 0.00 H new ATOM 0 HA ARG A 40 5.357 -3.046 6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.613 -2.809 8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.237 -3.466 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.000 -0.983 9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.322 -0.666 9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.894 -2.861 10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.939 -1.203 11.433 1.00 0.00 H new ATOM 0 HE ARG A 40 4.227 -1.729 11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.979 -3.290 12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.004 -3.943 14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.981 -2.571 12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.751 -3.538 14.207 1.00 0.00 H new ATOM 587 N LEU A 41 3.836 -0.921 6.766 1.00 0.00 N ATOM 588 CA LEU A 41 3.074 0.286 6.467 1.00 0.00 C ATOM 589 C LEU A 41 2.543 0.926 7.745 1.00 0.00 C ATOM 590 O LEU A 41 2.575 0.318 8.815 1.00 0.00 O ATOM 591 CB LEU A 41 1.913 -0.040 5.525 1.00 0.00 C ATOM 592 CG LEU A 41 2.207 0.081 4.030 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.210 -0.735 3.222 1.00 0.00 C ATOM 594 CD2 LEU A 41 2.180 1.540 3.597 1.00 0.00 C ATOM 0 H LEU A 41 3.264 -1.736 6.990 1.00 0.00 H new ATOM 0 HA LEU A 41 3.742 0.995 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.582 -1.058 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.080 0.620 5.766 1.00 0.00 H new ATOM 0 HG LEU A 41 3.205 -0.314 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.435 -0.637 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.278 -1.784 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.201 -0.371 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.391 1.607 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.195 1.961 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.934 2.098 4.152 1.00 0.00 H new ATOM 606 N SER A 42 2.053 2.156 7.626 1.00 0.00 N ATOM 607 CA SER A 42 1.516 2.879 8.773 1.00 0.00 C ATOM 608 C SER A 42 0.052 2.516 9.007 1.00 0.00 C ATOM 609 O SER A 42 -0.545 1.769 8.233 1.00 0.00 O ATOM 610 CB SER A 42 1.652 4.388 8.560 1.00 0.00 C ATOM 611 OG SER A 42 0.509 4.916 7.910 1.00 0.00 O ATOM 0 H SER A 42 2.017 2.672 6.747 1.00 0.00 H new ATOM 0 HA SER A 42 2.089 2.591 9.654 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.789 4.883 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.541 4.596 7.965 1.00 0.00 H new ATOM 0 HG SER A 42 0.620 5.882 7.787 1.00 0.00 H new ATOM 617 N ASN A 43 -0.519 3.052 10.081 1.00 0.00 N ATOM 618 CA ASN A 43 -1.913 2.785 10.418 1.00 0.00 C ATOM 619 C ASN A 43 -2.806 2.923 9.189 1.00 0.00 C ATOM 620 O ASN A 43 -3.530 1.996 8.828 1.00 0.00 O ATOM 621 CB ASN A 43 -2.385 3.741 11.516 1.00 0.00 C ATOM 622 CG ASN A 43 -3.716 3.325 12.111 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.722 4.019 11.957 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.729 2.187 12.795 1.00 0.00 N ATOM 0 H ASN A 43 -0.039 3.673 10.732 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.983 1.760 10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.634 3.783 12.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.472 4.747 11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.596 1.856 13.218 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.872 1.644 12.897 1.00 0.00 H new ATOM 631 N ASN A 44 -2.748 4.087 8.550 1.00 0.00 N ATOM 632 CA ASN A 44 -3.552 4.346 7.361 1.00 0.00 C ATOM 633 C ASN A 44 -2.760 4.043 6.092 1.00 0.00 C ATOM 634 O ASN A 44 -3.109 4.505 5.007 1.00 0.00 O ATOM 635 CB ASN A 44 -4.023 5.802 7.346 1.00 0.00 C ATOM 636 CG ASN A 44 -4.833 6.160 8.577 1.00 0.00 C ATOM 637 OD1 ASN A 44 -5.841 5.521 8.878 1.00 0.00 O ATOM 638 ND2 ASN A 44 -4.394 7.188 9.295 1.00 0.00 N ATOM 0 H ASN A 44 -2.153 4.865 8.835 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.422 3.690 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.157 6.461 7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.625 5.977 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.898 7.476 10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.553 7.689 9.008 1.00 0.00 H new ATOM 645 N GLN A 45 -1.694 3.263 6.239 1.00 0.00 N ATOM 646 CA GLN A 45 -0.853 2.899 5.105 1.00 0.00 C ATOM 647 C GLN A 45 -0.498 4.127 4.273 1.00 0.00 C ATOM 648 O GLN A 45 -0.629 4.119 3.049 1.00 0.00 O ATOM 649 CB GLN A 45 -1.562 1.863 4.230 1.00 0.00 C ATOM 650 CG GLN A 45 -2.158 0.707 5.017 1.00 0.00 C ATOM 651 CD GLN A 45 -2.862 -0.301 4.130 1.00 0.00 C ATOM 652 OE1 GLN A 45 -3.411 0.051 3.086 1.00 0.00 O ATOM 653 NE2 GLN A 45 -2.850 -1.563 4.543 1.00 0.00 N ATOM 0 H GLN A 45 -1.393 2.871 7.131 1.00 0.00 H new ATOM 0 HA GLN A 45 0.070 2.467 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.355 2.356 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.853 1.469 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.367 0.205 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.865 1.097 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.383 -1.810 5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.308 -2.286 3.988 1.00 0.00 H new ATOM 662 N ARG A 46 -0.049 5.181 4.946 1.00 0.00 N ATOM 663 CA ARG A 46 0.324 6.417 4.269 1.00 0.00 C ATOM 664 C ARG A 46 1.824 6.669 4.383 1.00 0.00 C ATOM 665 O ARG A 46 2.361 7.582 3.755 1.00 0.00 O ATOM 666 CB ARG A 46 -0.449 7.599 4.859 1.00 0.00 C ATOM 667 CG ARG A 46 -1.860 7.737 4.312 1.00 0.00 C ATOM 668 CD ARG A 46 -1.862 8.367 2.928 1.00 0.00 C ATOM 669 NE ARG A 46 -3.211 8.710 2.484 1.00 0.00 N ATOM 670 CZ ARG A 46 -3.925 9.703 3.003 1.00 0.00 C ATOM 671 NH1 ARG A 46 -3.421 10.448 3.977 1.00 0.00 N ATOM 672 NH2 ARG A 46 -5.145 9.953 2.546 1.00 0.00 N ATOM 0 H ARG A 46 0.065 5.204 5.959 1.00 0.00 H new ATOM 0 HA ARG A 46 0.070 6.315 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.498 7.486 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.101 8.518 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.331 6.755 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.457 8.346 4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.244 9.265 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.410 7.677 2.215 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.627 8.157 1.735 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.483 10.260 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.972 11.210 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.535 9.383 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.693 10.715 2.945 1.00 0.00 H new ATOM 686 N TYR A 47 2.496 5.854 5.190 1.00 0.00 N ATOM 687 CA TYR A 47 3.934 5.990 5.389 1.00 0.00 C ATOM 688 C TYR A 47 4.587 4.626 5.591 1.00 0.00 C ATOM 689 O TYR A 47 3.984 3.713 6.156 1.00 0.00 O ATOM 690 CB TYR A 47 4.220 6.889 6.593 1.00 0.00 C ATOM 691 CG TYR A 47 3.451 8.190 6.574 1.00 0.00 C ATOM 692 CD1 TYR A 47 3.780 9.202 5.680 1.00 0.00 C ATOM 693 CD2 TYR A 47 2.396 8.409 7.451 1.00 0.00 C ATOM 694 CE1 TYR A 47 3.081 10.393 5.660 1.00 0.00 C ATOM 695 CE2 TYR A 47 1.690 9.596 7.436 1.00 0.00 C ATOM 696 CZ TYR A 47 2.036 10.585 6.539 1.00 0.00 C ATOM 697 OH TYR A 47 1.336 11.770 6.523 1.00 0.00 O ATOM 0 H TYR A 47 2.068 5.093 5.717 1.00 0.00 H new ATOM 0 HA TYR A 47 4.358 6.446 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.977 6.346 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.287 7.108 6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.597 9.054 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.123 7.638 8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.351 11.170 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.871 9.749 8.123 1.00 0.00 H new ATOM 0 HH TYR A 47 0.631 11.743 7.204 1.00 0.00 H new ATOM 707 N LEU A 48 5.824 4.496 5.125 1.00 0.00 N ATOM 708 CA LEU A 48 6.563 3.244 5.255 1.00 0.00 C ATOM 709 C LEU A 48 7.619 3.346 6.350 1.00 0.00 C ATOM 710 O LEU A 48 8.309 4.358 6.470 1.00 0.00 O ATOM 711 CB LEU A 48 7.224 2.880 3.924 1.00 0.00 C ATOM 712 CG LEU A 48 6.352 2.114 2.929 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.988 2.120 1.547 1.00 0.00 C ATOM 714 CD2 LEU A 48 6.123 0.688 3.407 1.00 0.00 C ATOM 0 H LEU A 48 6.337 5.241 4.654 1.00 0.00 H new ATOM 0 HA LEU A 48 5.857 2.460 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.563 3.799 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.112 2.283 4.133 1.00 0.00 H new ATOM 0 HG LEU A 48 5.385 2.613 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.353 1.570 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.099 3.148 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.968 1.646 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.500 0.158 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.082 0.178 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.623 0.705 4.375 1.00 0.00 H new ATOM 726 N PHE A 49 7.742 2.289 7.146 1.00 0.00 N ATOM 727 CA PHE A 49 8.715 2.258 8.231 1.00 0.00 C ATOM 728 C PHE A 49 9.685 1.092 8.060 1.00 0.00 C ATOM 729 O PHE A 49 9.293 0.000 7.645 1.00 0.00 O ATOM 730 CB PHE A 49 8.003 2.149 9.581 1.00 0.00 C ATOM 731 CG PHE A 49 6.898 3.151 9.759 1.00 0.00 C ATOM 732 CD1 PHE A 49 7.065 4.465 9.354 1.00 0.00 C ATOM 733 CD2 PHE A 49 5.692 2.778 10.331 1.00 0.00 C ATOM 734 CE1 PHE A 49 6.051 5.390 9.516 1.00 0.00 C ATOM 735 CE2 PHE A 49 4.674 3.698 10.494 1.00 0.00 C ATOM 736 CZ PHE A 49 4.854 5.006 10.087 1.00 0.00 C ATOM 0 H PHE A 49 7.180 1.442 7.060 1.00 0.00 H new ATOM 0 HA PHE A 49 9.283 3.188 8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.592 1.145 9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.733 2.280 10.379 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.999 4.770 8.906 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.546 1.757 10.653 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.195 6.412 9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.738 3.395 10.939 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.060 5.727 10.215 1.00 0.00 H new ATOM 746 N LEU A 50 10.951 1.332 8.381 1.00 0.00 N ATOM 747 CA LEU A 50 11.978 0.303 8.262 1.00 0.00 C ATOM 748 C LEU A 50 12.681 0.077 9.597 1.00 0.00 C ATOM 749 O LEU A 50 12.988 1.028 10.316 1.00 0.00 O ATOM 750 CB LEU A 50 13.001 0.696 7.195 1.00 0.00 C ATOM 751 CG LEU A 50 12.430 1.122 5.842 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.544 1.573 4.910 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.636 -0.015 5.216 1.00 0.00 C ATOM 0 H LEU A 50 11.291 2.230 8.726 1.00 0.00 H new ATOM 0 HA LEU A 50 11.492 -0.627 7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.607 1.514 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.671 -0.148 7.034 1.00 0.00 H new ATOM 0 HG LEU A 50 11.756 1.963 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.118 1.872 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.070 2.419 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.244 0.752 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.237 0.306 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.288 -0.876 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.813 -0.291 5.876 1.00 0.00 H new ATOM 765 N ASP A 51 12.934 -1.186 9.921 1.00 0.00 N ATOM 766 CA ASP A 51 13.603 -1.536 11.168 1.00 0.00 C ATOM 767 C ASP A 51 14.924 -2.249 10.894 1.00 0.00 C ATOM 768 O ASP A 51 15.040 -3.019 9.942 1.00 0.00 O ATOM 769 CB ASP A 51 12.699 -2.423 12.025 1.00 0.00 C ATOM 770 CG ASP A 51 13.023 -2.324 13.503 1.00 0.00 C ATOM 771 OD1 ASP A 51 12.463 -1.433 14.174 1.00 0.00 O ATOM 772 OD2 ASP A 51 13.838 -3.137 13.988 1.00 0.00 O ATOM 0 H ASP A 51 12.686 -1.985 9.337 1.00 0.00 H new ATOM 0 HA ASP A 51 13.814 -0.614 11.710 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.659 -2.139 11.864 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.800 -3.459 11.702 1.00 0.00 H new ATOM 777 N GLY A 52 15.919 -1.984 11.736 1.00 0.00 N ATOM 778 CA GLY A 52 17.219 -2.607 11.567 1.00 0.00 C ATOM 779 C GLY A 52 18.359 -1.675 11.924 1.00 0.00 C ATOM 780 O GLY A 52 18.288 -0.947 12.915 1.00 0.00 O ATOM 0 H GLY A 52 15.848 -1.349 12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.275 -3.499 12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.331 -2.933 10.533 1.00 0.00 H new ATOM 784 N ASP A 53 19.414 -1.697 11.118 1.00 0.00 N ATOM 785 CA ASP A 53 20.576 -0.847 11.354 1.00 0.00 C ATOM 786 C ASP A 53 20.149 0.531 11.850 1.00 0.00 C ATOM 787 O ASP A 53 20.809 1.127 12.701 1.00 0.00 O ATOM 788 CB ASP A 53 21.403 -0.709 10.075 1.00 0.00 C ATOM 789 CG ASP A 53 21.852 -2.050 9.528 1.00 0.00 C ATOM 790 OD1 ASP A 53 21.139 -3.050 9.753 1.00 0.00 O ATOM 791 OD2 ASP A 53 22.916 -2.099 8.877 1.00 0.00 O ATOM 0 H ASP A 53 19.489 -2.294 10.295 1.00 0.00 H new ATOM 0 HA ASP A 53 21.188 -1.317 12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.813 -0.190 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 53 22.278 -0.091 10.276 1.00 0.00 H new ATOM 796 N SER A 54 19.042 1.032 11.311 1.00 0.00 N ATOM 797 CA SER A 54 18.530 2.342 11.695 1.00 0.00 C ATOM 798 C SER A 54 17.035 2.446 11.409 1.00 0.00 C ATOM 799 O SER A 54 16.494 1.699 10.592 1.00 0.00 O ATOM 800 CB SER A 54 19.281 3.445 10.948 1.00 0.00 C ATOM 801 OG SER A 54 19.339 4.634 11.718 1.00 0.00 O ATOM 0 H SER A 54 18.483 0.550 10.607 1.00 0.00 H new ATOM 0 HA SER A 54 18.687 2.466 12.766 1.00 0.00 H new ATOM 0 HB2 SER A 54 20.291 3.109 10.716 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.786 3.647 9.998 1.00 0.00 H new ATOM 0 HG SER A 54 19.826 5.323 11.219 1.00 0.00 H new ATOM 807 N HIS A 55 16.372 3.377 12.087 1.00 0.00 N ATOM 808 CA HIS A 55 14.939 3.580 11.907 1.00 0.00 C ATOM 809 C HIS A 55 14.667 4.517 10.733 1.00 0.00 C ATOM 810 O HIS A 55 14.699 5.739 10.881 1.00 0.00 O ATOM 811 CB HIS A 55 14.318 4.149 13.183 1.00 0.00 C ATOM 812 CG HIS A 55 15.173 5.177 13.858 1.00 0.00 C ATOM 813 ND1 HIS A 55 16.145 5.981 13.367 1.00 0.00 N flip ATOM 814 CD2 HIS A 55 15.077 5.471 15.202 1.00 0.00 C flip ATOM 815 CE1 HIS A 55 16.613 6.739 14.412 1.00 0.00 C flip ATOM 816 NE2 HIS A 55 15.951 6.412 15.508 1.00 0.00 N flip ATOM 0 H HIS A 55 16.804 4.003 12.766 1.00 0.00 H new ATOM 0 HA HIS A 55 14.484 2.613 11.691 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.353 4.593 12.941 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.127 3.333 13.880 1.00 0.00 H new ATOM 0 HD1 HIS A 55 16.469 6.017 12.401 1.00 0.00 H new ATOM 0 HD2 HIS A 55 14.394 5.004 15.896 1.00 0.00 H new ATOM 0 HE1 HIS A 55 17.395 7.481 14.349 1.00 0.00 H new ATOM 824 N TYR A 56 14.400 3.936 9.569 1.00 0.00 N ATOM 825 CA TYR A 56 14.126 4.719 8.370 1.00 0.00 C ATOM 826 C TYR A 56 12.624 4.824 8.119 1.00 0.00 C ATOM 827 O TYR A 56 11.844 4.012 8.615 1.00 0.00 O ATOM 828 CB TYR A 56 14.814 4.091 7.157 1.00 0.00 C ATOM 829 CG TYR A 56 16.214 4.609 6.919 1.00 0.00 C ATOM 830 CD1 TYR A 56 16.445 5.958 6.677 1.00 0.00 C ATOM 831 CD2 TYR A 56 17.306 3.750 6.934 1.00 0.00 C ATOM 832 CE1 TYR A 56 17.722 6.436 6.459 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.587 4.220 6.718 1.00 0.00 C ATOM 834 CZ TYR A 56 18.790 5.563 6.481 1.00 0.00 C ATOM 835 OH TYR A 56 20.065 6.035 6.264 1.00 0.00 O ATOM 0 H TYR A 56 14.367 2.926 9.430 1.00 0.00 H new ATOM 0 HA TYR A 56 14.521 5.723 8.524 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.854 3.010 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.210 4.280 6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.611 6.644 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.151 2.697 7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.884 7.487 6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.425 3.539 6.735 1.00 0.00 H new ATOM 0 HH TYR A 56 20.702 5.292 6.314 1.00 0.00 H new ATOM 845 N GLU A 57 12.229 5.830 7.346 1.00 0.00 N ATOM 846 CA GLU A 57 10.821 6.042 7.030 1.00 0.00 C ATOM 847 C GLU A 57 10.661 6.637 5.634 1.00 0.00 C ATOM 848 O GLU A 57 11.065 7.772 5.381 1.00 0.00 O ATOM 849 CB GLU A 57 10.176 6.965 8.066 1.00 0.00 C ATOM 850 CG GLU A 57 9.051 7.818 7.505 1.00 0.00 C ATOM 851 CD GLU A 57 8.349 8.634 8.573 1.00 0.00 C ATOM 852 OE1 GLU A 57 8.989 9.540 9.145 1.00 0.00 O ATOM 853 OE2 GLU A 57 7.158 8.366 8.836 1.00 0.00 O ATOM 0 H GLU A 57 12.863 6.511 6.927 1.00 0.00 H new ATOM 0 HA GLU A 57 10.320 5.074 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.788 6.361 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.942 7.618 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.453 8.489 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.325 7.174 7.009 1.00 0.00 H new ATOM 860 N ILE A 58 10.070 5.861 4.731 1.00 0.00 N ATOM 861 CA ILE A 58 9.856 6.311 3.361 1.00 0.00 C ATOM 862 C ILE A 58 8.422 6.788 3.157 1.00 0.00 C ATOM 863 O ILE A 58 7.510 5.983 2.973 1.00 0.00 O ATOM 864 CB ILE A 58 10.162 5.193 2.347 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.636 4.790 2.429 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.808 5.644 0.938 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.892 3.353 2.032 1.00 0.00 C ATOM 0 H ILE A 58 9.731 4.918 4.923 1.00 0.00 H new ATOM 0 HA ILE A 58 10.541 7.142 3.191 1.00 0.00 H new ATOM 0 HB ILE A 58 9.553 4.323 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.220 5.446 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.991 4.946 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.030 4.843 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.746 5.886 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.394 6.527 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.957 3.137 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.335 2.688 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.568 3.197 1.003 1.00 0.00 H new ATOM 879 N GLU A 59 8.231 8.103 3.189 1.00 0.00 N ATOM 880 CA GLU A 59 6.908 8.688 3.007 1.00 0.00 C ATOM 881 C GLU A 59 6.367 8.385 1.612 1.00 0.00 C ATOM 882 O GLU A 59 6.867 8.905 0.615 1.00 0.00 O ATOM 883 CB GLU A 59 6.959 10.201 3.228 1.00 0.00 C ATOM 884 CG GLU A 59 7.131 10.597 4.685 1.00 0.00 C ATOM 885 CD GLU A 59 8.588 10.726 5.086 1.00 0.00 C ATOM 886 OE1 GLU A 59 9.443 10.857 4.186 1.00 0.00 O ATOM 887 OE2 GLU A 59 8.872 10.696 6.302 1.00 0.00 O ATOM 0 H GLU A 59 8.976 8.783 3.339 1.00 0.00 H new ATOM 0 HA GLU A 59 6.238 8.243 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.782 10.617 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.041 10.647 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.624 11.545 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.648 9.854 5.319 1.00 0.00 H new ATOM 894 N ILE A 60 5.344 7.539 1.552 1.00 0.00 N ATOM 895 CA ILE A 60 4.735 7.167 0.281 1.00 0.00 C ATOM 896 C ILE A 60 4.412 8.400 -0.556 1.00 0.00 C ATOM 897 O ILE A 60 4.509 8.374 -1.783 1.00 0.00 O ATOM 898 CB ILE A 60 3.445 6.352 0.492 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.729 5.123 1.358 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.855 5.938 -0.848 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.505 4.274 1.621 1.00 0.00 C ATOM 0 H ILE A 60 4.920 7.099 2.368 1.00 0.00 H new ATOM 0 HA ILE A 60 5.462 6.551 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 60 2.717 6.978 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.487 4.511 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.147 5.448 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.944 5.363 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.621 6.827 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.577 5.327 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.780 3.421 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.753 4.870 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.098 3.919 0.674 1.00 0.00 H new ATOM 913 N VAL A 61 4.030 9.482 0.116 1.00 0.00 N ATOM 914 CA VAL A 61 3.696 10.727 -0.565 1.00 0.00 C ATOM 915 C VAL A 61 4.856 11.210 -1.428 1.00 0.00 C ATOM 916 O VAL A 61 4.653 11.864 -2.451 1.00 0.00 O ATOM 917 CB VAL A 61 3.322 11.833 0.439 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.035 11.479 1.169 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.457 12.063 1.425 1.00 0.00 C ATOM 0 H VAL A 61 3.944 9.521 1.132 1.00 0.00 H new ATOM 0 HA VAL A 61 2.836 10.519 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 61 3.156 12.759 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.787 12.272 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.226 11.369 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.169 10.542 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.176 12.848 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.656 11.141 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.354 12.365 0.884 1.00 0.00 H new ATOM 929 N HIS A 62 6.074 10.883 -1.008 1.00 0.00 N ATOM 930 CA HIS A 62 7.269 11.283 -1.743 1.00 0.00 C ATOM 931 C HIS A 62 7.550 10.317 -2.890 1.00 0.00 C ATOM 932 O HIS A 62 7.951 10.730 -3.978 1.00 0.00 O ATOM 933 CB HIS A 62 8.475 11.343 -0.805 1.00 0.00 C ATOM 934 CG HIS A 62 8.616 12.654 -0.095 1.00 0.00 C ATOM 935 ND1 HIS A 62 9.374 13.697 -0.584 1.00 0.00 N ATOM 936 CD2 HIS A 62 8.089 13.089 1.074 1.00 0.00 C ATOM 937 CE1 HIS A 62 9.309 14.716 0.254 1.00 0.00 C ATOM 938 NE2 HIS A 62 8.535 14.373 1.268 1.00 0.00 N ATOM 0 H HIS A 62 6.260 10.342 -0.163 1.00 0.00 H new ATOM 0 HA HIS A 62 7.093 12.274 -2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.390 10.546 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.381 11.151 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.439 12.530 1.731 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.804 15.668 0.131 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.306 14.966 2.066 1.00 0.00 H new ATOM 946 N ILE A 63 7.336 9.029 -2.639 1.00 0.00 N ATOM 947 CA ILE A 63 7.566 8.006 -3.650 1.00 0.00 C ATOM 948 C ILE A 63 6.898 8.377 -4.970 1.00 0.00 C ATOM 949 O ILE A 63 5.732 8.768 -4.998 1.00 0.00 O ATOM 950 CB ILE A 63 7.042 6.632 -3.191 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.670 6.244 -1.851 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.333 5.574 -4.245 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.127 4.953 -1.280 1.00 0.00 C ATOM 0 H ILE A 63 7.004 8.670 -1.744 1.00 0.00 H new ATOM 0 HA ILE A 63 8.644 7.944 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 63 5.962 6.697 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.748 6.150 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.502 7.048 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.957 4.609 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.842 5.847 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.409 5.507 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.617 4.741 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.053 5.049 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.319 4.138 -1.977 1.00 0.00 H new ATOM 965 N SER A 64 7.646 8.249 -6.062 1.00 0.00 N ATOM 966 CA SER A 64 7.127 8.573 -7.385 1.00 0.00 C ATOM 967 C SER A 64 6.771 7.305 -8.155 1.00 0.00 C ATOM 968 O SER A 64 5.622 7.105 -8.550 1.00 0.00 O ATOM 969 CB SER A 64 8.153 9.390 -8.173 1.00 0.00 C ATOM 970 OG SER A 64 7.553 10.021 -9.291 1.00 0.00 O ATOM 0 H SER A 64 8.613 7.923 -6.056 1.00 0.00 H new ATOM 0 HA SER A 64 6.221 9.166 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.600 10.143 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.960 8.739 -8.509 1.00 0.00 H new ATOM 0 HG SER A 64 8.229 10.538 -9.777 1.00 0.00 H new ATOM 976 N THR A 65 7.767 6.449 -8.364 1.00 0.00 N ATOM 977 CA THR A 65 7.561 5.200 -9.087 1.00 0.00 C ATOM 978 C THR A 65 7.516 4.013 -8.132 1.00 0.00 C ATOM 979 O THR A 65 8.301 3.933 -7.187 1.00 0.00 O ATOM 980 CB THR A 65 8.672 4.964 -10.128 1.00 0.00 C ATOM 981 OG1 THR A 65 8.790 6.104 -10.986 1.00 0.00 O ATOM 982 CG2 THR A 65 8.379 3.725 -10.961 1.00 0.00 C ATOM 0 H THR A 65 8.724 6.598 -8.043 1.00 0.00 H new ATOM 0 HA THR A 65 6.604 5.286 -9.601 1.00 0.00 H new ATOM 0 HB THR A 65 9.611 4.811 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.499 5.947 -11.644 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.177 3.579 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.319 2.854 -10.309 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.431 3.853 -11.483 1.00 0.00 H new ATOM 990 N VAL A 66 6.591 3.091 -8.384 1.00 0.00 N ATOM 991 CA VAL A 66 6.445 1.906 -7.547 1.00 0.00 C ATOM 992 C VAL A 66 6.283 0.650 -8.396 1.00 0.00 C ATOM 993 O VAL A 66 5.201 0.372 -8.910 1.00 0.00 O ATOM 994 CB VAL A 66 5.235 2.033 -6.602 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.063 0.764 -5.782 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.390 3.246 -5.698 1.00 0.00 C ATOM 0 H VAL A 66 5.932 3.142 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 66 7.355 1.824 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 66 4.338 2.171 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.204 0.872 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.902 -0.082 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.960 0.591 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.526 3.320 -5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.296 3.141 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.459 4.147 -6.307 1.00 0.00 H new ATOM 1006 N GLN A 67 7.368 -0.105 -8.537 1.00 0.00 N ATOM 1007 CA GLN A 67 7.346 -1.332 -9.325 1.00 0.00 C ATOM 1008 C GLN A 67 7.928 -2.498 -8.532 1.00 0.00 C ATOM 1009 O GLN A 67 8.652 -2.297 -7.556 1.00 0.00 O ATOM 1010 CB GLN A 67 8.129 -1.143 -10.625 1.00 0.00 C ATOM 1011 CG GLN A 67 9.633 -1.045 -10.421 1.00 0.00 C ATOM 1012 CD GLN A 67 10.367 -0.629 -11.680 1.00 0.00 C ATOM 1013 OE1 GLN A 67 10.628 0.554 -11.898 1.00 0.00 O ATOM 1014 NE2 GLN A 67 10.704 -1.602 -12.518 1.00 0.00 N ATOM 0 H GLN A 67 8.272 0.111 -8.117 1.00 0.00 H new ATOM 0 HA GLN A 67 6.308 -1.561 -9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.915 -1.977 -11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.778 -0.239 -11.122 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.842 -0.326 -9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.014 -2.009 -10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.468 -2.569 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.199 -1.382 -13.382 1.00 0.00 H new ATOM 1023 N ILE A 68 7.607 -3.715 -8.957 1.00 0.00 N ATOM 1024 CA ILE A 68 8.099 -4.912 -8.286 1.00 0.00 C ATOM 1025 C ILE A 68 9.113 -5.651 -9.154 1.00 0.00 C ATOM 1026 O ILE A 68 8.923 -5.796 -10.362 1.00 0.00 O ATOM 1027 CB ILE A 68 6.948 -5.872 -7.931 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.967 -5.194 -6.973 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.496 -7.152 -7.320 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.702 -5.990 -6.740 1.00 0.00 C ATOM 0 H ILE A 68 7.009 -3.898 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 68 8.583 -4.582 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 68 6.413 -6.130 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.463 -5.027 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.702 -4.214 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.671 -7.820 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.159 -7.641 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.052 -6.913 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.053 -5.449 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.184 -6.135 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.956 -6.960 -6.313 1.00 0.00 H new ATOM 1042 N LEU A 69 10.188 -6.117 -8.530 1.00 0.00 N ATOM 1043 CA LEU A 69 11.233 -6.844 -9.244 1.00 0.00 C ATOM 1044 C LEU A 69 10.967 -8.345 -9.218 1.00 0.00 C ATOM 1045 O LEU A 69 10.557 -8.897 -8.196 1.00 0.00 O ATOM 1046 CB LEU A 69 12.601 -6.545 -8.629 1.00 0.00 C ATOM 1047 CG LEU A 69 12.961 -5.067 -8.477 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.124 -4.897 -7.512 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.295 -4.457 -9.830 1.00 0.00 C ATOM 0 H LEU A 69 10.360 -6.005 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 69 11.228 -6.512 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.644 -7.012 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.365 -7.023 -9.242 1.00 0.00 H new ATOM 0 HG LEU A 69 12.097 -4.543 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.366 -3.838 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.848 -5.296 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.993 -5.435 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.549 -3.405 -9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.143 -4.984 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.433 -4.545 -10.491 1.00 0.00 H new ATOM 1061 N THR A 70 11.205 -9.003 -10.348 1.00 0.00 N ATOM 1062 CA THR A 70 10.993 -10.441 -10.455 1.00 0.00 C ATOM 1063 C THR A 70 12.200 -11.131 -11.081 1.00 0.00 C ATOM 1064 O THR A 70 12.795 -10.619 -12.029 1.00 0.00 O ATOM 1065 CB THR A 70 9.740 -10.764 -11.292 1.00 0.00 C ATOM 1066 OG1 THR A 70 9.804 -10.084 -12.550 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.475 -10.355 -10.552 1.00 0.00 C ATOM 0 H THR A 70 11.545 -8.562 -11.203 1.00 0.00 H new ATOM 0 HA THR A 70 10.850 -10.815 -9.441 1.00 0.00 H new ATOM 0 HB THR A 70 9.710 -11.840 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.005 -10.295 -13.077 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.604 -10.593 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.415 -10.896 -9.608 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.499 -9.283 -10.355 1.00 0.00 H new ATOM 1214 N ALA A 82 6.186 -12.352 -6.802 1.00 0.00 N ATOM 1215 CA ALA A 82 7.085 -11.243 -6.508 1.00 0.00 C ATOM 1216 C ALA A 82 8.140 -11.648 -5.484 1.00 0.00 C ATOM 1217 O ALA A 82 7.817 -11.990 -4.345 1.00 0.00 O ATOM 1218 CB ALA A 82 6.296 -10.042 -6.009 1.00 0.00 C ATOM 0 HA ALA A 82 7.598 -10.969 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.980 -9.221 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.585 -9.730 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.757 -10.313 -5.101 1.00 0.00 H new ATOM 1224 N THR A 83 9.404 -11.607 -5.894 1.00 0.00 N ATOM 1225 CA THR A 83 10.506 -11.971 -5.013 1.00 0.00 C ATOM 1226 C THR A 83 11.162 -10.733 -4.413 1.00 0.00 C ATOM 1227 O THR A 83 11.716 -10.783 -3.315 1.00 0.00 O ATOM 1228 CB THR A 83 11.574 -12.794 -5.759 1.00 0.00 C ATOM 1229 OG1 THR A 83 12.662 -13.097 -4.879 1.00 0.00 O ATOM 1230 CG2 THR A 83 12.092 -12.034 -6.971 1.00 0.00 C ATOM 0 H THR A 83 9.690 -11.325 -6.832 1.00 0.00 H new ATOM 0 HA THR A 83 10.083 -12.579 -4.213 1.00 0.00 H new ATOM 0 HB THR A 83 11.114 -13.722 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.336 -13.621 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.845 -12.634 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.266 -11.830 -7.653 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.537 -11.093 -6.648 1.00 0.00 H new ATOM 1238 N GLY A 84 11.095 -9.622 -5.140 1.00 0.00 N ATOM 1239 CA GLY A 84 11.687 -8.386 -4.662 1.00 0.00 C ATOM 1240 C GLY A 84 10.783 -7.189 -4.879 1.00 0.00 C ATOM 1241 O GLY A 84 9.570 -7.337 -5.022 1.00 0.00 O ATOM 0 H GLY A 84 10.641 -9.556 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.910 -8.481 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.635 -8.219 -5.173 1.00 0.00 H new ATOM 1245 N MET A 85 11.374 -5.999 -4.901 1.00 0.00 N ATOM 1246 CA MET A 85 10.613 -4.771 -5.101 1.00 0.00 C ATOM 1247 C MET A 85 11.541 -3.602 -5.415 1.00 0.00 C ATOM 1248 O MET A 85 12.690 -3.573 -4.975 1.00 0.00 O ATOM 1249 CB MET A 85 9.778 -4.456 -3.860 1.00 0.00 C ATOM 1250 CG MET A 85 8.892 -3.230 -4.018 1.00 0.00 C ATOM 1251 SD MET A 85 7.542 -3.189 -2.824 1.00 0.00 S ATOM 1252 CE MET A 85 6.125 -3.334 -3.910 1.00 0.00 C ATOM 0 H MET A 85 12.377 -5.859 -4.783 1.00 0.00 H new ATOM 0 HA MET A 85 9.946 -4.920 -5.950 1.00 0.00 H new ATOM 0 HB2 MET A 85 9.153 -5.318 -3.624 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.446 -4.305 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.499 -2.331 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.480 -3.212 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.317 -2.702 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.403 -3.017 -4.915 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.791 -4.371 -3.936 1.00 0.00 H new ATOM 1262 N PHE A 86 11.035 -2.639 -6.179 1.00 0.00 N ATOM 1263 CA PHE A 86 11.819 -1.468 -6.553 1.00 0.00 C ATOM 1264 C PHE A 86 10.994 -0.193 -6.409 1.00 0.00 C ATOM 1265 O PHE A 86 10.120 0.092 -7.230 1.00 0.00 O ATOM 1266 CB PHE A 86 12.323 -1.603 -7.991 1.00 0.00 C ATOM 1267 CG PHE A 86 13.321 -0.549 -8.378 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.673 -0.736 -8.141 1.00 0.00 C ATOM 1269 CD2 PHE A 86 12.906 0.628 -8.980 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.592 0.233 -8.496 1.00 0.00 C ATOM 1271 CE2 PHE A 86 13.821 1.600 -9.337 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.166 1.402 -9.095 1.00 0.00 C ATOM 0 H PHE A 86 10.085 -2.647 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 86 12.674 -1.405 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.777 -2.586 -8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.473 -1.554 -8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 86 15.012 -1.649 -7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.855 0.788 -9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.643 0.076 -8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.485 2.513 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.883 2.160 -9.374 1.00 0.00 H new ATOM 1282 N LEU A 87 11.276 0.572 -5.360 1.00 0.00 N ATOM 1283 CA LEU A 87 10.560 1.818 -5.107 1.00 0.00 C ATOM 1284 C LEU A 87 11.455 3.024 -5.372 1.00 0.00 C ATOM 1285 O LEU A 87 12.674 2.950 -5.215 1.00 0.00 O ATOM 1286 CB LEU A 87 10.052 1.853 -3.665 1.00 0.00 C ATOM 1287 CG LEU A 87 9.239 0.640 -3.210 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.352 0.456 -1.705 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.782 0.790 -3.623 1.00 0.00 C ATOM 0 H LEU A 87 11.995 0.352 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 87 9.709 1.864 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.910 1.960 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.438 2.745 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 87 9.644 -0.248 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.767 -0.412 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.397 0.303 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.973 1.345 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.218 -0.082 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.365 1.687 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.718 0.872 -4.708 1.00 0.00 H new ATOM 1301 N GLN A 88 10.842 4.133 -5.772 1.00 0.00 N ATOM 1302 CA GLN A 88 11.585 5.355 -6.057 1.00 0.00 C ATOM 1303 C GLN A 88 10.999 6.539 -5.294 1.00 0.00 C ATOM 1304 O GLN A 88 9.786 6.751 -5.294 1.00 0.00 O ATOM 1305 CB GLN A 88 11.573 5.646 -7.559 1.00 0.00 C ATOM 1306 CG GLN A 88 12.526 4.770 -8.356 1.00 0.00 C ATOM 1307 CD GLN A 88 12.737 5.274 -9.770 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.138 4.766 -10.718 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.593 6.278 -9.919 1.00 0.00 N ATOM 0 H GLN A 88 9.834 4.211 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 88 12.614 5.208 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.561 5.507 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.833 6.692 -7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.487 4.725 -7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.135 3.753 -8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.067 6.669 -9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.776 6.659 -10.847 1.00 0.00 H new ATOM 1318 N TYR A 89 11.868 7.305 -4.644 1.00 0.00 N ATOM 1319 CA TYR A 89 11.436 8.465 -3.874 1.00 0.00 C ATOM 1320 C TYR A 89 12.539 9.518 -3.810 1.00 0.00 C ATOM 1321 O TYR A 89 13.713 9.219 -4.027 1.00 0.00 O ATOM 1322 CB TYR A 89 11.036 8.044 -2.458 1.00 0.00 C ATOM 1323 CG TYR A 89 12.063 7.172 -1.773 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.161 7.731 -1.132 1.00 0.00 C ATOM 1325 CD2 TYR A 89 11.935 5.788 -1.768 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.103 6.937 -0.505 1.00 0.00 C ATOM 1327 CE2 TYR A 89 12.871 4.987 -1.142 1.00 0.00 C ATOM 1328 CZ TYR A 89 13.953 5.566 -0.512 1.00 0.00 C ATOM 1329 OH TYR A 89 14.887 4.772 0.111 1.00 0.00 O ATOM 0 H TYR A 89 12.875 7.144 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 89 10.571 8.900 -4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.870 8.937 -1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.088 7.508 -2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.281 8.804 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.090 5.331 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.952 7.388 -0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.756 3.913 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 89 15.281 5.260 0.864 1.00 0.00 H new ATOM 1339 N THR A 90 12.151 10.754 -3.511 1.00 0.00 N ATOM 1340 CA THR A 90 13.105 11.853 -3.419 1.00 0.00 C ATOM 1341 C THR A 90 13.372 12.228 -1.966 1.00 0.00 C ATOM 1342 O THR A 90 12.497 12.100 -1.110 1.00 0.00 O ATOM 1343 CB THR A 90 12.602 13.097 -4.175 1.00 0.00 C ATOM 1344 OG1 THR A 90 11.294 13.455 -3.715 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.566 12.841 -5.674 1.00 0.00 C ATOM 0 H THR A 90 11.183 11.019 -3.328 1.00 0.00 H new ATOM 0 HA THR A 90 14.031 11.508 -3.878 1.00 0.00 H new ATOM 0 HB THR A 90 13.292 13.918 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.982 14.248 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.208 13.733 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.569 12.598 -6.026 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.896 12.008 -5.885 1.00 0.00 H new ATOM 1353 N VAL A 91 14.587 12.694 -1.694 1.00 0.00 N ATOM 1354 CA VAL A 91 14.969 13.090 -0.344 1.00 0.00 C ATOM 1355 C VAL A 91 15.096 14.606 -0.231 1.00 0.00 C ATOM 1356 O VAL A 91 15.615 15.278 -1.123 1.00 0.00 O ATOM 1357 CB VAL A 91 16.302 12.442 0.075 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.729 12.939 1.448 1.00 0.00 C ATOM 1359 CG2 VAL A 91 16.184 10.926 0.061 1.00 0.00 C ATOM 0 H VAL A 91 15.323 12.806 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 91 14.179 12.743 0.323 1.00 0.00 H new ATOM 0 HB VAL A 91 17.069 12.731 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.673 12.470 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.856 14.021 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.965 12.682 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.135 10.484 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.405 10.615 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.928 10.590 -0.944 1.00 0.00 H new ATOM 1369 N PRO A 92 14.612 15.158 0.891 1.00 0.00 N ATOM 1370 CA PRO A 92 14.661 16.600 1.148 1.00 0.00 C ATOM 1371 C PRO A 92 16.081 17.097 1.399 1.00 0.00 C ATOM 1372 O PRO A 92 16.725 16.699 2.368 1.00 0.00 O ATOM 1373 CB PRO A 92 13.806 16.765 2.407 1.00 0.00 C ATOM 1374 CG PRO A 92 13.878 15.443 3.090 1.00 0.00 C ATOM 1375 CD PRO A 92 13.981 14.417 1.996 1.00 0.00 C ATOM 0 HA PRO A 92 14.305 17.178 0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.190 17.561 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.778 17.025 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.741 15.393 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.993 15.272 3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.584 13.562 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.001 14.031 1.713 1.00 0.00 H new ATOM 1383 N GLY A 93 16.562 17.970 0.520 1.00 0.00 N ATOM 1384 CA GLY A 93 17.902 18.507 0.664 1.00 0.00 C ATOM 1385 C GLY A 93 18.909 17.798 -0.220 1.00 0.00 C ATOM 1386 O GLY A 93 19.703 18.440 -0.909 1.00 0.00 O ATOM 0 H GLY A 93 16.047 18.315 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.893 19.569 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.214 18.423 1.705 1.00 0.00 H new ATOM 1390 N THR A 94 18.880 16.469 -0.200 1.00 0.00 N ATOM 1391 CA THR A 94 19.799 15.672 -1.003 1.00 0.00 C ATOM 1392 C THR A 94 19.497 15.818 -2.490 1.00 0.00 C ATOM 1393 O THR A 94 18.338 15.793 -2.903 1.00 0.00 O ATOM 1394 CB THR A 94 19.731 14.182 -0.621 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.113 14.009 0.748 1.00 0.00 O ATOM 1396 CG2 THR A 94 20.641 13.352 -1.515 1.00 0.00 C ATOM 0 H THR A 94 18.230 15.922 0.364 1.00 0.00 H new ATOM 0 HA THR A 94 20.803 16.046 -0.800 1.00 0.00 H new ATOM 0 HB THR A 94 18.705 13.841 -0.757 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.065 13.059 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.576 12.303 -1.226 1.00 0.00 H new ATOM 0 HG22 THR A 94 20.330 13.462 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.670 13.695 -1.406 1.00 0.00 H new ATOM 1404 N GLU A 95 20.548 15.970 -3.291 1.00 0.00 N ATOM 1405 CA GLU A 95 20.393 16.120 -4.733 1.00 0.00 C ATOM 1406 C GLU A 95 20.352 14.758 -5.420 1.00 0.00 C ATOM 1407 O GLU A 95 21.291 13.970 -5.318 1.00 0.00 O ATOM 1408 CB GLU A 95 21.537 16.958 -5.306 1.00 0.00 C ATOM 1409 CG GLU A 95 21.457 18.430 -4.938 1.00 0.00 C ATOM 1410 CD GLU A 95 20.110 19.042 -5.272 1.00 0.00 C ATOM 1411 OE1 GLU A 95 19.936 19.501 -6.421 1.00 0.00 O ATOM 1412 OE2 GLU A 95 19.231 19.064 -4.386 1.00 0.00 O ATOM 0 H GLU A 95 21.514 15.992 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 95 19.449 16.631 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.485 16.554 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.537 16.863 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 95 21.650 18.545 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 95 22.240 18.975 -5.464 1.00 0.00 H new ATOM 1419 N GLY A 96 19.255 14.488 -6.121 1.00 0.00 N ATOM 1420 CA GLY A 96 19.111 13.221 -6.814 1.00 0.00 C ATOM 1421 C GLY A 96 17.982 12.379 -6.254 1.00 0.00 C ATOM 1422 O GLY A 96 17.384 12.727 -5.236 1.00 0.00 O ATOM 0 H GLY A 96 18.464 15.124 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.930 13.408 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.045 12.664 -6.744 1.00 0.00 H new ATOM 1426 N VAL A 97 17.687 11.267 -6.921 1.00 0.00 N ATOM 1427 CA VAL A 97 16.622 10.373 -6.484 1.00 0.00 C ATOM 1428 C VAL A 97 17.190 9.071 -5.929 1.00 0.00 C ATOM 1429 O VAL A 97 18.140 8.511 -6.477 1.00 0.00 O ATOM 1430 CB VAL A 97 15.654 10.047 -7.637 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.566 9.093 -7.167 1.00 0.00 C ATOM 1432 CG2 VAL A 97 15.049 11.324 -8.201 1.00 0.00 C ATOM 0 H VAL A 97 18.171 10.964 -7.766 1.00 0.00 H new ATOM 0 HA VAL A 97 16.076 10.893 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 97 16.215 9.556 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.892 8.874 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.021 8.167 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.005 9.553 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.368 11.075 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.501 11.845 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.844 11.968 -8.577 1.00 0.00 H new ATOM 1442 N THR A 98 16.602 8.593 -4.836 1.00 0.00 N ATOM 1443 CA THR A 98 17.049 7.358 -4.206 1.00 0.00 C ATOM 1444 C THR A 98 16.092 6.210 -4.505 1.00 0.00 C ATOM 1445 O THR A 98 14.875 6.395 -4.526 1.00 0.00 O ATOM 1446 CB THR A 98 17.177 7.520 -2.679 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.089 8.581 -2.374 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.659 6.229 -2.036 1.00 0.00 C ATOM 0 H THR A 98 15.815 9.043 -4.369 1.00 0.00 H new ATOM 0 HA THR A 98 18.029 7.128 -4.623 1.00 0.00 H new ATOM 0 HB THR A 98 16.193 7.761 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.164 8.679 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.742 6.368 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 98 16.947 5.430 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.634 5.962 -2.443 1.00 0.00 H new ATOM 1456 N GLN A 99 16.649 5.025 -4.735 1.00 0.00 N ATOM 1457 CA GLN A 99 15.843 3.847 -5.033 1.00 0.00 C ATOM 1458 C GLN A 99 15.937 2.824 -3.906 1.00 0.00 C ATOM 1459 O GLN A 99 16.882 2.840 -3.116 1.00 0.00 O ATOM 1460 CB GLN A 99 16.294 3.215 -6.350 1.00 0.00 C ATOM 1461 CG GLN A 99 17.615 2.470 -6.247 1.00 0.00 C ATOM 1462 CD GLN A 99 18.800 3.402 -6.088 1.00 0.00 C ATOM 1463 OE1 GLN A 99 18.905 4.414 -6.781 1.00 0.00 O ATOM 1464 NE2 GLN A 99 19.700 3.065 -5.172 1.00 0.00 N ATOM 0 H GLN A 99 17.655 4.855 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 99 14.804 4.163 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.524 2.525 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.385 3.995 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.578 1.788 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.754 1.860 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.573 2.217 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.519 3.654 -5.020 1.00 0.00 H new ATOM 1473 N LEU A 100 14.951 1.936 -3.836 1.00 0.00 N ATOM 1474 CA LEU A 100 14.922 0.905 -2.804 1.00 0.00 C ATOM 1475 C LEU A 100 14.725 -0.476 -3.421 1.00 0.00 C ATOM 1476 O LEU A 100 13.676 -0.769 -3.995 1.00 0.00 O ATOM 1477 CB LEU A 100 13.803 1.192 -1.800 1.00 0.00 C ATOM 1478 CG LEU A 100 13.859 0.404 -0.491 1.00 0.00 C ATOM 1479 CD1 LEU A 100 14.989 0.913 0.390 1.00 0.00 C ATOM 1480 CD2 LEU A 100 12.528 0.492 0.241 1.00 0.00 C ATOM 0 H LEU A 100 14.161 1.909 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 100 15.880 0.918 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.820 2.256 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.847 0.988 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 100 14.053 -0.642 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.014 0.341 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 100 15.938 0.798 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.826 1.966 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 100 12.586 -0.075 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.304 1.535 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 100 11.739 0.079 -0.387 1.00 0.00 H new ATOM 1492 N LYS A 101 15.741 -1.324 -3.296 1.00 0.00 N ATOM 1493 CA LYS A 101 15.680 -2.676 -3.837 1.00 0.00 C ATOM 1494 C LYS A 101 15.465 -3.698 -2.725 1.00 0.00 C ATOM 1495 O LYS A 101 16.322 -3.879 -1.860 1.00 0.00 O ATOM 1496 CB LYS A 101 16.967 -3.000 -4.600 1.00 0.00 C ATOM 1497 CG LYS A 101 16.801 -4.103 -5.631 1.00 0.00 C ATOM 1498 CD LYS A 101 17.926 -4.085 -6.652 1.00 0.00 C ATOM 1499 CE LYS A 101 17.902 -5.327 -7.530 1.00 0.00 C ATOM 1500 NZ LYS A 101 18.635 -5.116 -8.809 1.00 0.00 N ATOM 0 H LYS A 101 16.617 -1.098 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 101 14.835 -2.728 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.321 -2.098 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.738 -3.293 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.779 -5.071 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.844 -3.986 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 101 17.838 -3.195 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.885 -4.020 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.347 -6.162 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.869 -5.600 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.596 -5.985 -9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.195 -4.335 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.627 -4.880 -8.606 1.00 0.00 H new ATOM 1514 N LEU A 102 14.316 -4.364 -2.755 1.00 0.00 N ATOM 1515 CA LEU A 102 13.988 -5.370 -1.750 1.00 0.00 C ATOM 1516 C LEU A 102 14.109 -6.776 -2.328 1.00 0.00 C ATOM 1517 O LEU A 102 13.675 -7.039 -3.450 1.00 0.00 O ATOM 1518 CB LEU A 102 12.571 -5.145 -1.219 1.00 0.00 C ATOM 1519 CG LEU A 102 12.293 -3.770 -0.609 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.824 -3.637 -0.241 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.174 -3.540 0.611 1.00 0.00 C ATOM 0 H LEU A 102 13.596 -4.226 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 102 14.697 -5.272 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.868 -5.306 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.362 -5.904 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 102 12.530 -3.009 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.645 -2.653 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.213 -3.757 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.560 -4.406 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.963 -2.557 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.968 -4.307 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.222 -3.591 0.318 1.00 0.00 H new ATOM 1533 N THR A 103 14.702 -7.679 -1.553 1.00 0.00 N ATOM 1534 CA THR A 103 14.880 -9.059 -1.986 1.00 0.00 C ATOM 1535 C THR A 103 14.724 -10.027 -0.818 1.00 0.00 C ATOM 1536 O THR A 103 15.386 -9.886 0.210 1.00 0.00 O ATOM 1537 CB THR A 103 16.262 -9.271 -2.633 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.479 -8.293 -3.655 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.373 -10.667 -3.227 1.00 0.00 C ATOM 0 H THR A 103 15.067 -7.479 -0.622 1.00 0.00 H new ATOM 0 HA THR A 103 14.106 -9.260 -2.726 1.00 0.00 H new ATOM 0 HB THR A 103 17.022 -9.162 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.360 -8.433 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.357 -10.793 -3.678 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.236 -11.409 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.605 -10.800 -3.989 1.00 0.00 H new ATOM 1547 N VAL A 104 13.845 -11.010 -0.983 1.00 0.00 N ATOM 1548 CA VAL A 104 13.604 -12.002 0.057 1.00 0.00 C ATOM 1549 C VAL A 104 14.795 -12.942 0.207 1.00 0.00 C ATOM 1550 O VAL A 104 15.322 -13.456 -0.779 1.00 0.00 O ATOM 1551 CB VAL A 104 12.342 -12.834 -0.243 1.00 0.00 C ATOM 1552 CG1 VAL A 104 12.150 -13.912 0.813 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.119 -11.934 -0.326 1.00 0.00 C ATOM 0 H VAL A 104 13.288 -11.140 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 104 13.457 -11.455 0.988 1.00 0.00 H new ATOM 0 HB VAL A 104 12.471 -13.324 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.254 -14.489 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.016 -14.574 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.042 -13.447 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.237 -12.538 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.984 -11.415 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.259 -11.203 -1.122 1.00 0.00 H new ATOM 1563 N VAL A 105 15.214 -13.164 1.449 1.00 0.00 N ATOM 1564 CA VAL A 105 16.342 -14.043 1.730 1.00 0.00 C ATOM 1565 C VAL A 105 15.869 -15.450 2.079 1.00 0.00 C ATOM 1566 O VAL A 105 14.886 -15.623 2.799 1.00 0.00 O ATOM 1567 CB VAL A 105 17.203 -13.501 2.886 1.00 0.00 C ATOM 1568 CG1 VAL A 105 16.379 -13.394 4.160 1.00 0.00 C ATOM 1569 CG2 VAL A 105 18.422 -14.384 3.102 1.00 0.00 C ATOM 0 H VAL A 105 14.789 -12.747 2.277 1.00 0.00 H new ATOM 0 HA VAL A 105 16.947 -14.080 0.824 1.00 0.00 H new ATOM 0 HB VAL A 105 17.550 -12.502 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 105 17.004 -13.009 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 105 15.541 -12.717 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 105 16.001 -14.379 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.019 -13.986 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 105 18.099 -15.396 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 105 19.023 -14.404 2.193 1.00 0.00 H new ATOM 1659 N ARG A 112 8.317 -17.616 2.348 1.00 0.00 N ATOM 1660 CA ARG A 112 8.174 -16.954 1.056 1.00 0.00 C ATOM 1661 C ARG A 112 6.736 -16.495 0.837 1.00 0.00 C ATOM 1662 O ARG A 112 6.489 -15.342 0.483 1.00 0.00 O ATOM 1663 CB ARG A 112 8.597 -17.896 -0.073 1.00 0.00 C ATOM 1664 CG ARG A 112 10.087 -17.856 -0.373 1.00 0.00 C ATOM 1665 CD ARG A 112 10.463 -16.610 -1.160 1.00 0.00 C ATOM 1666 NE ARG A 112 11.611 -16.840 -2.033 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.527 -17.438 -3.216 1.00 0.00 C ATOM 1668 NH1 ARG A 112 10.354 -17.862 -3.666 1.00 0.00 N ATOM 1669 NH2 ARG A 112 12.617 -17.610 -3.953 1.00 0.00 N ATOM 0 HA ARG A 112 8.822 -16.078 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 112 8.315 -18.915 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.046 -17.637 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.648 -17.881 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.370 -18.744 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.611 -16.289 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.690 -15.799 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 112 12.528 -16.524 -1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 112 9.514 -17.729 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.292 -18.321 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.521 -17.283 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 112 12.551 -18.069 -4.861 1.00 0.00 H new ATOM 1683 N ARG A 113 5.790 -17.404 1.049 1.00 0.00 N ATOM 1684 CA ARG A 113 4.377 -17.093 0.873 1.00 0.00 C ATOM 1685 C ARG A 113 4.030 -15.756 1.521 1.00 0.00 C ATOM 1686 O ARG A 113 3.354 -14.921 0.919 1.00 0.00 O ATOM 1687 CB ARG A 113 3.510 -18.202 1.473 1.00 0.00 C ATOM 1688 CG ARG A 113 3.584 -19.513 0.708 1.00 0.00 C ATOM 1689 CD ARG A 113 3.077 -20.676 1.546 1.00 0.00 C ATOM 1690 NE ARG A 113 3.242 -21.956 0.863 1.00 0.00 N ATOM 1691 CZ ARG A 113 2.809 -23.113 1.353 1.00 0.00 C ATOM 1692 NH1 ARG A 113 2.188 -23.149 2.524 1.00 0.00 N ATOM 1693 NH2 ARG A 113 2.996 -24.236 0.672 1.00 0.00 N ATOM 0 H ARG A 113 5.977 -18.363 1.343 1.00 0.00 H new ATOM 0 HA ARG A 113 4.177 -17.023 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.818 -18.375 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.474 -17.866 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.994 -19.437 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.614 -19.702 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 113 3.613 -20.700 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.023 -20.523 1.779 1.00 0.00 H new ATOM 0 HE ARG A 113 3.716 -21.963 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.042 -22.288 3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.856 -24.038 2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.473 -24.212 -0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.663 -25.123 1.050 1.00 0.00 H new ATOM 1707 N GLN A 114 4.497 -15.560 2.749 1.00 0.00 N ATOM 1708 CA GLN A 114 4.235 -14.324 3.478 1.00 0.00 C ATOM 1709 C GLN A 114 4.833 -13.125 2.750 1.00 0.00 C ATOM 1710 O GLN A 114 4.110 -12.303 2.189 1.00 0.00 O ATOM 1711 CB GLN A 114 4.805 -14.412 4.895 1.00 0.00 C ATOM 1712 CG GLN A 114 4.522 -13.182 5.742 1.00 0.00 C ATOM 1713 CD GLN A 114 5.109 -11.917 5.148 1.00 0.00 C ATOM 1714 OE1 GLN A 114 6.326 -11.790 5.007 1.00 0.00 O ATOM 1715 NE2 GLN A 114 4.246 -10.972 4.795 1.00 0.00 N ATOM 0 H GLN A 114 5.059 -16.241 3.261 1.00 0.00 H new ATOM 0 HA GLN A 114 3.155 -14.188 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.388 -15.288 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.883 -14.562 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.444 -13.061 5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.929 -13.332 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.246 -11.119 4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 114 4.583 -10.099 4.389 1.00 0.00 H new ATOM 1724 N ALA A 115 6.159 -13.032 2.764 1.00 0.00 N ATOM 1725 CA ALA A 115 6.855 -11.935 2.103 1.00 0.00 C ATOM 1726 C ALA A 115 6.256 -11.653 0.729 1.00 0.00 C ATOM 1727 O ALA A 115 5.780 -10.550 0.462 1.00 0.00 O ATOM 1728 CB ALA A 115 8.339 -12.248 1.980 1.00 0.00 C ATOM 0 H ALA A 115 6.772 -13.703 3.226 1.00 0.00 H new ATOM 0 HA ALA A 115 6.734 -11.041 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 115 8.846 -11.420 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.764 -12.391 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.472 -13.157 1.394 1.00 0.00 H new ATOM 1734 N VAL A 116 6.284 -12.658 -0.141 1.00 0.00 N ATOM 1735 CA VAL A 116 5.743 -12.518 -1.488 1.00 0.00 C ATOM 1736 C VAL A 116 4.371 -11.856 -1.463 1.00 0.00 C ATOM 1737 O VAL A 116 4.052 -11.034 -2.321 1.00 0.00 O ATOM 1738 CB VAL A 116 5.629 -13.884 -2.191 1.00 0.00 C ATOM 1739 CG1 VAL A 116 5.059 -13.718 -3.591 1.00 0.00 C ATOM 1740 CG2 VAL A 116 6.984 -14.574 -2.237 1.00 0.00 C ATOM 0 H VAL A 116 6.675 -13.578 0.063 1.00 0.00 H new ATOM 0 HA VAL A 116 6.437 -11.888 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 116 4.946 -14.512 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.986 -14.693 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.068 -13.269 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.714 -13.073 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.885 -15.538 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.691 -13.952 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.349 -14.728 -1.221 1.00 0.00 H new ATOM 1750 N ALA A 117 3.562 -12.219 -0.473 1.00 0.00 N ATOM 1751 CA ALA A 117 2.224 -11.657 -0.334 1.00 0.00 C ATOM 1752 C ALA A 117 2.282 -10.151 -0.102 1.00 0.00 C ATOM 1753 O ALA A 117 1.447 -9.403 -0.610 1.00 0.00 O ATOM 1754 CB ALA A 117 1.480 -12.341 0.803 1.00 0.00 C ATOM 0 H ALA A 117 3.810 -12.900 0.245 1.00 0.00 H new ATOM 0 HA ALA A 117 1.684 -11.833 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.482 -11.911 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.398 -13.408 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.026 -12.195 1.735 1.00 0.00 H new ATOM 1760 N TRP A 118 3.271 -9.714 0.668 1.00 0.00 N ATOM 1761 CA TRP A 118 3.437 -8.296 0.968 1.00 0.00 C ATOM 1762 C TRP A 118 3.850 -7.521 -0.279 1.00 0.00 C ATOM 1763 O TRP A 118 3.215 -6.531 -0.644 1.00 0.00 O ATOM 1764 CB TRP A 118 4.479 -8.105 2.071 1.00 0.00 C ATOM 1765 CG TRP A 118 4.576 -6.691 2.558 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.002 -6.171 3.683 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.288 -5.617 1.935 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.314 -4.838 3.796 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.103 -4.474 2.737 1.00 0.00 C ATOM 1770 CE3 TRP A 118 6.065 -5.510 0.779 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.666 -3.242 2.417 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.624 -4.286 0.463 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.423 -3.165 1.280 1.00 0.00 C ATOM 0 H TRP A 118 3.970 -10.320 1.096 1.00 0.00 H new ATOM 0 HA TRP A 118 2.479 -7.908 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.232 -8.755 2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.454 -8.421 1.699 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.393 -6.726 4.381 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.008 -4.219 4.547 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.226 -6.368 0.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.511 -2.377 3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.226 -4.192 -0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.874 -2.223 1.007 1.00 0.00 H new ATOM 1784 N LEU A 119 4.915 -7.977 -0.927 1.00 0.00 N ATOM 1785 CA LEU A 119 5.413 -7.325 -2.134 1.00 0.00 C ATOM 1786 C LEU A 119 4.266 -6.975 -3.076 1.00 0.00 C ATOM 1787 O LEU A 119 4.065 -5.810 -3.421 1.00 0.00 O ATOM 1788 CB LEU A 119 6.417 -8.231 -2.849 1.00 0.00 C ATOM 1789 CG LEU A 119 7.652 -8.633 -2.042 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.450 -9.696 -2.781 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.519 -7.417 -1.753 1.00 0.00 C ATOM 0 H LEU A 119 5.451 -8.795 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 119 5.912 -6.402 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.900 -9.139 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.749 -7.727 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 119 7.321 -9.052 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.325 -9.969 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.827 -10.577 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.771 -9.305 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.393 -7.722 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.841 -6.968 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.945 -6.688 -1.181 1.00 0.00 H new ATOM 1803 N VAL A 120 3.514 -7.991 -3.488 1.00 0.00 N ATOM 1804 CA VAL A 120 2.384 -7.790 -4.387 1.00 0.00 C ATOM 1805 C VAL A 120 1.345 -6.864 -3.766 1.00 0.00 C ATOM 1806 O VAL A 120 0.807 -5.981 -4.434 1.00 0.00 O ATOM 1807 CB VAL A 120 1.712 -9.128 -4.751 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.330 -9.893 -3.493 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.493 -8.889 -5.630 1.00 0.00 C ATOM 0 H VAL A 120 3.667 -8.961 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 120 2.778 -7.331 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 120 2.424 -9.732 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.857 -10.835 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.225 -10.095 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.634 -9.297 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.030 -9.844 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.224 -8.266 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.799 -8.385 -6.547 1.00 0.00 H new ATOM 1819 N ALA A 121 1.067 -7.070 -2.483 1.00 0.00 N ATOM 1820 CA ALA A 121 0.094 -6.252 -1.771 1.00 0.00 C ATOM 1821 C ALA A 121 0.436 -4.770 -1.882 1.00 0.00 C ATOM 1822 O ALA A 121 -0.356 -3.977 -2.391 1.00 0.00 O ATOM 1823 CB ALA A 121 0.021 -6.671 -0.310 1.00 0.00 C ATOM 0 H ALA A 121 1.502 -7.797 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.881 -6.408 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.710 -6.052 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.279 -7.717 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.999 -6.545 0.154 1.00 0.00 H new ATOM 1829 N MET A 122 1.620 -4.404 -1.403 1.00 0.00 N ATOM 1830 CA MET A 122 2.067 -3.016 -1.449 1.00 0.00 C ATOM 1831 C MET A 122 1.689 -2.368 -2.778 1.00 0.00 C ATOM 1832 O MET A 122 1.039 -1.323 -2.808 1.00 0.00 O ATOM 1833 CB MET A 122 3.580 -2.938 -1.242 1.00 0.00 C ATOM 1834 CG MET A 122 4.094 -1.521 -1.040 1.00 0.00 C ATOM 1835 SD MET A 122 3.711 -0.871 0.598 1.00 0.00 S ATOM 1836 CE MET A 122 3.431 0.857 0.219 1.00 0.00 C ATOM 0 H MET A 122 2.287 -5.048 -0.979 1.00 0.00 H new ATOM 0 HA MET A 122 1.570 -2.473 -0.645 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.851 -3.541 -0.376 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.080 -3.377 -2.105 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.174 -1.505 -1.190 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.658 -0.869 -1.797 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.987 1.478 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 122 3.768 1.066 -0.796 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.367 1.080 0.301 1.00 0.00 H new ATOM 1846 N HIS A 123 2.102 -2.995 -3.875 1.00 0.00 N ATOM 1847 CA HIS A 123 1.806 -2.479 -5.207 1.00 0.00 C ATOM 1848 C HIS A 123 0.300 -2.395 -5.436 1.00 0.00 C ATOM 1849 O HIS A 123 -0.234 -1.328 -5.738 1.00 0.00 O ATOM 1850 CB HIS A 123 2.448 -3.366 -6.275 1.00 0.00 C ATOM 1851 CG HIS A 123 2.084 -2.977 -7.674 1.00 0.00 C ATOM 1852 ND1 HIS A 123 1.908 -3.894 -8.689 1.00 0.00 N ATOM 1853 CD2 HIS A 123 1.861 -1.761 -8.226 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.594 -3.259 -9.804 1.00 0.00 C ATOM 1855 NE2 HIS A 123 1.559 -1.963 -9.550 1.00 0.00 N ATOM 0 H HIS A 123 2.642 -3.860 -3.868 1.00 0.00 H new ATOM 0 HA HIS A 123 2.223 -1.475 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.532 -3.326 -6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.149 -4.400 -6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 123 1.911 -0.809 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.399 -3.721 -10.761 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.343 -1.232 -10.227 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.379 -3.528 -5.290 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.824 -3.584 -5.480 1.00 0.00 C ATOM 1865 C LYS A 124 -2.497 -2.342 -4.904 1.00 0.00 C ATOM 1866 O LYS A 124 -3.177 -1.605 -5.618 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.397 -4.840 -4.819 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.040 -6.125 -5.545 1.00 0.00 C ATOM 1869 CD LYS A 124 -2.764 -6.233 -6.877 1.00 0.00 C ATOM 1870 CE LYS A 124 -2.891 -7.680 -7.327 1.00 0.00 C ATOM 1871 NZ LYS A 124 -3.212 -7.785 -8.777 1.00 0.00 N ATOM 0 H LYS A 124 0.048 -4.420 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.024 -3.620 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -2.033 -4.899 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.482 -4.751 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -0.963 -6.163 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -2.297 -6.980 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -3.756 -5.790 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -2.225 -5.662 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -1.959 -8.207 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -3.670 -8.174 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -3.290 -8.787 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -4.114 -7.305 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -2.456 -7.337 -9.333 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.301 -2.115 -3.609 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.886 -0.960 -2.939 1.00 0.00 C ATOM 1887 C ALA A 125 -2.272 0.340 -3.448 1.00 0.00 C ATOM 1888 O ALA A 125 -2.980 1.312 -3.707 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.707 -1.076 -1.433 1.00 0.00 C ATOM 0 H ALA A 125 -1.742 -2.716 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.952 -0.941 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.149 -0.207 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -3.200 -1.981 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.644 -1.124 -1.196 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.951 0.349 -3.589 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.241 1.529 -4.068 1.00 0.00 C ATOM 1897 C ALA A 126 -0.907 2.100 -5.316 1.00 0.00 C ATOM 1898 O ALA A 126 -0.817 3.297 -5.587 1.00 0.00 O ATOM 1899 CB ALA A 126 1.215 1.190 -4.352 1.00 0.00 C ATOM 0 H ALA A 126 -0.350 -0.448 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.279 2.289 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.733 2.080 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.691 0.835 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.266 0.411 -5.113 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.574 1.236 -6.073 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.255 1.653 -7.292 1.00 0.00 C ATOM 1907 C LYS A 127 -3.420 2.585 -6.973 1.00 0.00 C ATOM 1908 O LYS A 127 -3.465 3.723 -7.444 1.00 0.00 O ATOM 1909 CB LYS A 127 -2.762 0.431 -8.062 1.00 0.00 C ATOM 1910 CG LYS A 127 -1.674 -0.300 -8.828 1.00 0.00 C ATOM 1911 CD LYS A 127 -2.116 -1.697 -9.228 1.00 0.00 C ATOM 1912 CE LYS A 127 -2.852 -1.690 -10.559 1.00 0.00 C ATOM 1913 NZ LYS A 127 -3.848 -2.793 -10.649 1.00 0.00 N ATOM 0 H LYS A 127 -1.657 0.241 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.539 2.193 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.229 -0.261 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.536 0.748 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -1.411 0.269 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.776 -0.364 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.246 -2.349 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.764 -2.110 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -3.357 -0.733 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.132 -1.784 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -4.328 -2.753 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.363 -3.708 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -4.550 -2.690 -9.889 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.359 2.097 -6.170 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.524 2.888 -5.786 1.00 0.00 C ATOM 1929 C LEU A 128 -5.124 4.323 -5.460 1.00 0.00 C ATOM 1930 O LEU A 128 -5.766 5.275 -5.907 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.220 2.254 -4.581 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.207 1.128 -4.892 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.605 0.400 -3.617 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.436 1.676 -5.601 1.00 0.00 C ATOM 0 H LEU A 128 -4.337 1.158 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.215 2.906 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.456 1.865 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.752 3.037 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.718 0.415 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.308 -0.398 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.718 -0.027 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.075 1.102 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.127 0.860 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.927 2.410 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.136 2.151 -6.535 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.059 4.473 -4.680 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.571 5.793 -4.296 1.00 0.00 C ATOM 1948 C LEU A 129 -3.654 6.766 -5.467 1.00 0.00 C ATOM 1949 O LEU A 129 -4.331 7.792 -5.388 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.128 5.699 -3.797 1.00 0.00 C ATOM 1951 CG LEU A 129 -1.951 5.489 -2.292 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.651 4.753 -2.006 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -1.983 6.822 -1.560 1.00 0.00 C ATOM 0 H LEU A 129 -3.517 3.697 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.204 6.168 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.637 4.877 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.606 6.613 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.778 4.879 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.542 4.612 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.667 3.781 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.188 5.337 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.856 6.653 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.176 7.457 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.940 7.312 -1.738 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.964 6.438 -6.553 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.959 7.283 -7.741 1.00 0.00 C ATOM 1967 C TYR A 130 -3.843 6.691 -8.834 1.00 0.00 C ATOM 1968 O TYR A 130 -4.805 7.318 -9.277 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.532 7.458 -8.262 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.483 7.436 -7.174 1.00 0.00 C ATOM 1971 CD1 TYR A 130 -0.124 8.599 -6.503 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.150 6.252 -6.815 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.835 8.584 -5.509 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.108 6.227 -5.821 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.448 7.395 -5.171 1.00 0.00 C ATOM 1976 OH TYR A 130 2.402 7.375 -4.180 1.00 0.00 O ATOM 0 H TYR A 130 -2.400 5.592 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.359 8.258 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -1.316 6.666 -8.979 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -1.464 8.403 -8.801 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.603 9.531 -6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -0.112 5.335 -7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.103 9.498 -4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 130 1.589 5.298 -5.554 1.00 0.00 H new ATOM 0 HH TYR A 130 2.734 6.460 -4.064 1.00 0.00 H new