USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -142:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.65) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.89 X(o=-0.89,f=-0.97!) USER MOD Single : A 23 THR OG1 : rot -100:sc= -1.29 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 79:sc= 1.26 USER MOD Single : A 43 GLN : amide:sc=-0.00632 X(o=-0.0063,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.246 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -95:sc= 0.673 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.18) USER MOD Single : A 73 TYR OH : rot -12:sc= 1.27 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -104:sc= -2.53! (180deg=-4.67!) USER MOD Single : A 83 TYR OH : rot -75:sc= 0.019 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 146:sc= -0.0983 (180deg=-0.628) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.287 F(o=-3.2,f=-0.29) USER MOD Single : A 100 TYR OH : rot 150:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -4.69! C(o=-4.7!,f=-4.8!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-11!) USER MOD Single : A 109 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.0089) USER MOD Single : A 110 SER OG : rot 60:sc= 0.741 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot -30:sc= -1.25 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.191 1.045 -15.649 1.00 0.00 N ATOM 168 CA PRO A 14 -2.003 1.057 -14.790 1.00 0.00 C ATOM 169 C PRO A 14 -2.343 0.796 -13.327 1.00 0.00 C ATOM 170 O PRO A 14 -1.759 -0.082 -12.691 1.00 0.00 O ATOM 171 CB PRO A 14 -1.453 2.475 -14.966 1.00 0.00 C ATOM 172 CG PRO A 14 -2.635 3.294 -15.355 1.00 0.00 C ATOM 173 CD PRO A 14 -3.522 2.386 -16.161 1.00 0.00 C ATOM 0 HA PRO A 14 -1.296 0.273 -15.062 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.003 2.842 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.679 2.507 -15.733 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.157 3.668 -14.474 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.332 4.163 -15.939 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.576 2.622 -16.017 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.319 2.470 -17.229 1.00 0.00 H new ATOM 181 N LEU A 15 -3.291 1.562 -12.799 1.00 0.00 N ATOM 182 CA LEU A 15 -3.710 1.412 -11.409 1.00 0.00 C ATOM 183 C LEU A 15 -5.224 1.256 -11.311 1.00 0.00 C ATOM 184 O LEU A 15 -5.982 2.218 -11.438 1.00 0.00 O ATOM 185 CB LEU A 15 -3.256 2.619 -10.586 1.00 0.00 C ATOM 186 CG LEU A 15 -1.898 2.487 -9.895 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.919 1.344 -8.892 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.795 2.279 -10.922 1.00 0.00 C ATOM 0 H LEU A 15 -3.784 2.293 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.244 0.511 -11.010 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.225 3.489 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.010 2.820 -9.825 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.694 3.412 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.945 1.265 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.682 1.536 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.145 0.411 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.164 2.187 -10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.993 1.370 -11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.765 3.131 -11.601 1.00 0.00 H new ATOM 200 N PRO A 16 -5.677 0.015 -11.076 1.00 0.00 N ATOM 201 CA PRO A 16 -7.104 -0.296 -10.952 1.00 0.00 C ATOM 202 C PRO A 16 -7.713 0.274 -9.675 1.00 0.00 C ATOM 203 O PRO A 16 -7.000 0.591 -8.725 1.00 0.00 O ATOM 204 CB PRO A 16 -7.132 -1.826 -10.922 1.00 0.00 C ATOM 205 CG PRO A 16 -5.791 -2.219 -10.406 1.00 0.00 C ATOM 206 CD PRO A 16 -4.831 -1.179 -10.913 1.00 0.00 C ATOM 0 HA PRO A 16 -7.688 0.139 -11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.929 -2.195 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.311 -2.238 -11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.787 -2.255 -9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.513 -3.212 -10.759 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.019 -1.003 -10.207 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.374 -1.480 -11.856 1.00 0.00 H new ATOM 214 N ASN A 17 -9.036 0.399 -9.661 1.00 0.00 N ATOM 215 CA ASN A 17 -9.741 0.931 -8.500 1.00 0.00 C ATOM 216 C ASN A 17 -10.050 -0.177 -7.497 1.00 0.00 C ATOM 217 O ASN A 17 -11.074 -0.142 -6.815 1.00 0.00 O ATOM 218 CB ASN A 17 -11.037 1.618 -8.935 1.00 0.00 C ATOM 219 CG ASN A 17 -10.798 3.016 -9.472 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.808 3.238 -10.683 1.00 0.00 O ATOM 221 ND2 ASN A 17 -10.582 3.967 -8.571 1.00 0.00 N ATOM 0 H ASN A 17 -9.641 0.139 -10.440 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.094 1.664 -8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.525 1.016 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.720 1.669 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.415 4.927 -8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.583 3.738 -7.577 1.00 0.00 H new ATOM 228 N SER A 18 -9.158 -1.158 -7.414 1.00 0.00 N ATOM 229 CA SER A 18 -9.337 -2.278 -6.497 1.00 0.00 C ATOM 230 C SER A 18 -8.263 -2.269 -5.413 1.00 0.00 C ATOM 231 O SER A 18 -8.530 -2.596 -4.256 1.00 0.00 O ATOM 232 CB SER A 18 -9.295 -3.602 -7.262 1.00 0.00 C ATOM 233 OG SER A 18 -10.575 -3.940 -7.766 1.00 0.00 O ATOM 0 H SER A 18 -8.304 -1.200 -7.970 1.00 0.00 H new ATOM 0 HA SER A 18 -10.311 -2.173 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.585 -3.528 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.939 -4.395 -6.604 1.00 0.00 H new ATOM 0 HG SER A 18 -10.521 -4.789 -8.252 1.00 0.00 H new ATOM 239 N VAL A 19 -7.048 -1.892 -5.795 1.00 0.00 N ATOM 240 CA VAL A 19 -5.933 -1.839 -4.857 1.00 0.00 C ATOM 241 C VAL A 19 -6.168 -0.784 -3.783 1.00 0.00 C ATOM 242 O VAL A 19 -5.930 -1.024 -2.599 1.00 0.00 O ATOM 243 CB VAL A 19 -4.606 -1.534 -5.578 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.323 -2.584 -6.642 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.639 -0.141 -6.187 1.00 0.00 C ATOM 0 H VAL A 19 -6.810 -1.618 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.867 -2.821 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.799 -1.566 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.382 -2.352 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.254 -3.566 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.130 -2.587 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.694 0.058 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.455 -0.078 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.792 0.597 -5.399 1.00 0.00 H new ATOM 255 N PHE A 20 -6.639 0.386 -4.203 1.00 0.00 N ATOM 256 CA PHE A 20 -6.907 1.480 -3.276 1.00 0.00 C ATOM 257 C PHE A 20 -8.006 1.099 -2.289 1.00 0.00 C ATOM 258 O PHE A 20 -9.192 1.147 -2.615 1.00 0.00 O ATOM 259 CB PHE A 20 -7.310 2.740 -4.045 1.00 0.00 C ATOM 260 CG PHE A 20 -6.327 3.132 -5.111 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.399 2.575 -6.377 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.330 4.058 -4.846 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.496 2.934 -7.360 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.425 4.421 -5.825 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.507 3.858 -7.083 1.00 0.00 C ATOM 0 H PHE A 20 -6.843 0.601 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.994 1.681 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.286 2.580 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.420 3.566 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.170 1.852 -6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.260 4.501 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.564 2.493 -8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.654 5.145 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.799 4.139 -7.849 1.00 0.00 H new ATOM 275 N VAL A 21 -7.603 0.720 -1.081 1.00 0.00 N ATOM 276 CA VAL A 21 -8.552 0.331 -0.045 1.00 0.00 C ATOM 277 C VAL A 21 -8.826 1.486 0.912 1.00 0.00 C ATOM 278 O VAL A 21 -7.940 2.289 1.201 1.00 0.00 O ATOM 279 CB VAL A 21 -8.040 -0.878 0.761 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.733 -0.538 1.461 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.090 -1.332 1.764 1.00 0.00 C ATOM 0 H VAL A 21 -6.625 0.674 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.477 0.055 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.851 -1.700 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.387 -1.404 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.983 -0.265 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.892 0.299 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.712 -2.187 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.313 -0.516 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.999 -1.619 1.235 1.00 0.00 H new ATOM 291 N ASN A 22 -10.059 1.563 1.401 1.00 0.00 N ATOM 292 CA ASN A 22 -10.450 2.621 2.325 1.00 0.00 C ATOM 293 C ASN A 22 -10.141 2.226 3.766 1.00 0.00 C ATOM 294 O ASN A 22 -10.796 2.684 4.703 1.00 0.00 O ATOM 295 CB ASN A 22 -11.942 2.930 2.179 1.00 0.00 C ATOM 296 CG ASN A 22 -12.304 4.301 2.716 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.706 4.780 3.680 1.00 0.00 O ATOM 298 ND2 ASN A 22 -13.287 4.940 2.092 1.00 0.00 N ATOM 0 H ASN A 22 -10.805 0.905 1.173 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.875 3.514 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.221 2.869 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.521 2.172 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.574 5.866 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.755 4.504 1.297 1.00 0.00 H new ATOM 305 N THR A 23 -9.136 1.372 3.937 1.00 0.00 N ATOM 306 CA THR A 23 -8.739 0.914 5.262 1.00 0.00 C ATOM 307 C THR A 23 -7.463 1.609 5.725 1.00 0.00 C ATOM 308 O THR A 23 -6.407 1.465 5.109 1.00 0.00 O ATOM 309 CB THR A 23 -8.518 -0.610 5.288 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.397 -1.065 6.640 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.270 -0.989 4.506 1.00 0.00 C ATOM 0 H THR A 23 -8.582 0.984 3.173 1.00 0.00 H new ATOM 0 HA THR A 23 -9.554 1.167 5.940 1.00 0.00 H new ATOM 0 HB THR A 23 -9.379 -1.088 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.450 -1.191 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.135 -2.070 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.378 -0.668 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.401 -0.501 4.948 1.00 0.00 H new ATOM 319 N THR A 24 -7.567 2.363 6.815 1.00 0.00 N ATOM 320 CA THR A 24 -6.422 3.080 7.360 1.00 0.00 C ATOM 321 C THR A 24 -5.682 2.234 8.390 1.00 0.00 C ATOM 322 O THR A 24 -5.152 2.757 9.369 1.00 0.00 O ATOM 323 CB THR A 24 -6.850 4.408 8.014 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.746 4.152 9.101 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.523 5.319 6.999 1.00 0.00 C ATOM 0 H THR A 24 -8.433 2.493 7.338 1.00 0.00 H new ATOM 0 HA THR A 24 -5.756 3.293 6.524 1.00 0.00 H new ATOM 0 HB THR A 24 -5.957 4.907 8.390 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.012 5.001 9.512 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.816 6.250 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.828 5.536 6.188 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.408 4.825 6.597 1.00 0.00 H new ATOM 333 N GLU A 25 -5.652 0.925 8.162 1.00 0.00 N ATOM 334 CA GLU A 25 -4.976 0.007 9.072 1.00 0.00 C ATOM 335 C GLU A 25 -4.112 -0.986 8.301 1.00 0.00 C ATOM 336 O GLU A 25 -4.092 -0.984 7.070 1.00 0.00 O ATOM 337 CB GLU A 25 -6.000 -0.746 9.924 1.00 0.00 C ATOM 338 CG GLU A 25 -6.974 0.166 10.653 1.00 0.00 C ATOM 339 CD GLU A 25 -6.487 0.554 12.035 1.00 0.00 C ATOM 340 OE1 GLU A 25 -5.259 0.518 12.263 1.00 0.00 O ATOM 341 OE2 GLU A 25 -7.332 0.893 12.889 1.00 0.00 O ATOM 0 H GLU A 25 -6.087 0.476 7.356 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.330 0.593 9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.562 -1.427 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.472 -1.358 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.134 1.068 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.939 -0.334 10.739 1.00 0.00 H new ATOM 348 N SER A 26 -3.397 -1.833 9.034 1.00 0.00 N ATOM 349 CA SER A 26 -2.526 -2.829 8.421 1.00 0.00 C ATOM 350 C SER A 26 -3.088 -4.234 8.613 1.00 0.00 C ATOM 351 O SER A 26 -3.104 -5.040 7.682 1.00 0.00 O ATOM 352 CB SER A 26 -1.119 -2.744 9.017 1.00 0.00 C ATOM 353 OG SER A 26 -1.135 -3.032 10.404 1.00 0.00 O ATOM 0 H SER A 26 -3.404 -1.850 10.054 1.00 0.00 H new ATOM 0 HA SER A 26 -2.473 -2.621 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.460 -3.445 8.504 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.711 -1.746 8.854 1.00 0.00 H new ATOM 0 HG SER A 26 -0.224 -2.973 10.761 1.00 0.00 H new ATOM 359 N CYS A 27 -3.547 -4.519 9.826 1.00 0.00 N ATOM 360 CA CYS A 27 -4.110 -5.828 10.142 1.00 0.00 C ATOM 361 C CYS A 27 -5.274 -6.158 9.213 1.00 0.00 C ATOM 362 O CYS A 27 -5.430 -7.299 8.780 1.00 0.00 O ATOM 363 CB CYS A 27 -4.576 -5.867 11.598 1.00 0.00 C ATOM 364 SG CYS A 27 -3.259 -5.583 12.803 1.00 0.00 S ATOM 0 H CYS A 27 -3.541 -3.863 10.607 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.331 -6.576 9.997 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.352 -5.115 11.740 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.032 -6.837 11.796 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.752 -5.633 14.005 1.00 0.00 H new ATOM 370 N GLU A 28 -6.088 -5.151 8.913 1.00 0.00 N ATOM 371 CA GLU A 28 -7.240 -5.336 8.037 1.00 0.00 C ATOM 372 C GLU A 28 -6.803 -5.833 6.662 1.00 0.00 C ATOM 373 O GLU A 28 -7.279 -6.861 6.181 1.00 0.00 O ATOM 374 CB GLU A 28 -8.017 -4.026 7.896 1.00 0.00 C ATOM 375 CG GLU A 28 -9.116 -4.080 6.849 1.00 0.00 C ATOM 376 CD GLU A 28 -10.224 -3.079 7.113 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.611 -2.918 8.289 1.00 0.00 O ATOM 378 OE2 GLU A 28 -10.702 -2.455 6.142 1.00 0.00 O ATOM 0 H GLU A 28 -5.972 -4.200 9.263 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.889 -6.088 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.457 -3.769 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.322 -3.227 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.686 -3.889 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.538 -5.085 6.822 1.00 0.00 H new ATOM 385 N VAL A 29 -5.894 -5.094 6.034 1.00 0.00 N ATOM 386 CA VAL A 29 -5.392 -5.458 4.714 1.00 0.00 C ATOM 387 C VAL A 29 -4.956 -6.918 4.676 1.00 0.00 C ATOM 388 O VAL A 29 -5.352 -7.670 3.786 1.00 0.00 O ATOM 389 CB VAL A 29 -4.204 -4.568 4.301 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.661 -4.998 2.947 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.618 -3.105 4.278 1.00 0.00 C ATOM 0 H VAL A 29 -5.490 -4.240 6.418 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.211 -5.308 4.011 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.410 -4.686 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.823 -4.358 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.325 -6.033 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.446 -4.911 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.767 -2.491 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.429 -2.968 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.955 -2.807 5.271 1.00 0.00 H new ATOM 401 N GLU A 30 -4.140 -7.313 5.648 1.00 0.00 N ATOM 402 CA GLU A 30 -3.650 -8.684 5.724 1.00 0.00 C ATOM 403 C GLU A 30 -4.808 -9.677 5.695 1.00 0.00 C ATOM 404 O GLU A 30 -4.724 -10.727 5.057 1.00 0.00 O ATOM 405 CB GLU A 30 -2.824 -8.884 6.996 1.00 0.00 C ATOM 406 CG GLU A 30 -2.162 -10.249 7.083 1.00 0.00 C ATOM 407 CD GLU A 30 -1.551 -10.515 8.446 1.00 0.00 C ATOM 408 OE1 GLU A 30 -0.385 -10.122 8.660 1.00 0.00 O ATOM 409 OE2 GLU A 30 -2.238 -11.117 9.297 1.00 0.00 O ATOM 0 H GLU A 30 -3.804 -6.703 6.394 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.016 -8.865 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.055 -8.113 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.469 -8.746 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.899 -11.021 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.386 -10.322 6.321 1.00 0.00 H new ATOM 416 N ARG A 31 -5.889 -9.338 6.390 1.00 0.00 N ATOM 417 CA ARG A 31 -7.064 -10.200 6.446 1.00 0.00 C ATOM 418 C ARG A 31 -7.778 -10.233 5.097 1.00 0.00 C ATOM 419 O ARG A 31 -8.137 -11.301 4.600 1.00 0.00 O ATOM 420 CB ARG A 31 -8.026 -9.717 7.533 1.00 0.00 C ATOM 421 CG ARG A 31 -9.277 -10.570 7.661 1.00 0.00 C ATOM 422 CD ARG A 31 -10.029 -10.266 8.947 1.00 0.00 C ATOM 423 NE ARG A 31 -11.442 -10.624 8.852 1.00 0.00 N ATOM 424 CZ ARG A 31 -11.902 -11.856 9.040 1.00 0.00 C ATOM 425 NH1 ARG A 31 -11.065 -12.843 9.330 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.202 -12.103 8.937 1.00 0.00 N ATOM 0 H ARG A 31 -5.976 -8.472 6.922 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.732 -11.210 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.504 -9.706 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.318 -8.689 7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.929 -10.392 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.003 -11.625 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.571 -10.812 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.939 -9.205 9.178 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.112 -9.888 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.065 -12.657 9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.421 -13.788 9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.849 -11.347 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.554 -13.049 9.081 1.00 0.00 H new ATOM 440 N LEU A 32 -7.981 -9.058 4.512 1.00 0.00 N ATOM 441 CA LEU A 32 -8.652 -8.952 3.222 1.00 0.00 C ATOM 442 C LEU A 32 -7.963 -9.822 2.176 1.00 0.00 C ATOM 443 O LEU A 32 -8.584 -10.700 1.576 1.00 0.00 O ATOM 444 CB LEU A 32 -8.675 -7.495 2.755 1.00 0.00 C ATOM 445 CG LEU A 32 -9.338 -6.497 3.704 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.290 -5.093 3.121 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.775 -6.907 3.992 1.00 0.00 C ATOM 0 H LEU A 32 -7.690 -8.165 4.911 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.676 -9.305 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.648 -7.174 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.190 -7.450 1.795 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.786 -6.498 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.767 -4.396 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.252 -4.798 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.817 -5.077 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.231 -6.185 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.339 -6.936 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.786 -7.894 4.454 1.00 0.00 H new ATOM 459 N PHE A 33 -6.675 -9.575 1.963 1.00 0.00 N ATOM 460 CA PHE A 33 -5.900 -10.337 0.991 1.00 0.00 C ATOM 461 C PHE A 33 -6.336 -11.799 0.974 1.00 0.00 C ATOM 462 O PHE A 33 -6.762 -12.320 -0.057 1.00 0.00 O ATOM 463 CB PHE A 33 -4.407 -10.241 1.309 1.00 0.00 C ATOM 464 CG PHE A 33 -3.779 -8.954 0.857 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.540 -7.803 0.733 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.427 -8.894 0.558 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.964 -6.617 0.316 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.846 -7.711 0.142 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.616 -6.571 0.022 1.00 0.00 C ATOM 0 H PHE A 33 -6.145 -8.852 2.451 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.082 -9.911 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.265 -10.347 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.889 -11.075 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.594 -7.832 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.820 -9.782 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.568 -5.727 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.791 -7.678 -0.089 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.164 -5.645 -0.301 1.00 0.00 H new ATOM 479 N LYS A 34 -6.224 -12.456 2.123 1.00 0.00 N ATOM 480 CA LYS A 34 -6.606 -13.858 2.244 1.00 0.00 C ATOM 481 C LYS A 34 -8.101 -14.038 2.000 1.00 0.00 C ATOM 482 O LYS A 34 -8.529 -15.030 1.410 1.00 0.00 O ATOM 483 CB LYS A 34 -6.238 -14.392 3.630 1.00 0.00 C ATOM 484 CG LYS A 34 -4.764 -14.242 3.967 1.00 0.00 C ATOM 485 CD LYS A 34 -4.551 -14.033 5.457 1.00 0.00 C ATOM 486 CE LYS A 34 -3.072 -13.947 5.802 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.466 -15.295 5.981 1.00 0.00 N ATOM 0 H LYS A 34 -5.871 -12.040 2.985 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.061 -14.422 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.829 -13.868 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.510 -15.446 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.223 -15.131 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.348 -13.398 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.053 -13.118 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.007 -14.854 6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.545 -13.414 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.945 -13.367 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.780 -15.266 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.212 -15.985 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.982 -15.577 5.105 1.00 0.00 H new ATOM 501 N ALA A 35 -8.891 -13.071 2.455 1.00 0.00 N ATOM 502 CA ALA A 35 -10.337 -13.121 2.282 1.00 0.00 C ATOM 503 C ALA A 35 -10.715 -13.114 0.805 1.00 0.00 C ATOM 504 O ALA A 35 -11.266 -14.088 0.289 1.00 0.00 O ATOM 505 CB ALA A 35 -10.995 -11.953 3.002 1.00 0.00 C ATOM 0 H ALA A 35 -8.553 -12.243 2.946 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.698 -14.053 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.075 -12.003 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.762 -12.003 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.620 -11.015 2.592 1.00 0.00 H new ATOM 511 N THR A 36 -10.415 -12.010 0.127 1.00 0.00 N ATOM 512 CA THR A 36 -10.725 -11.876 -1.291 1.00 0.00 C ATOM 513 C THR A 36 -10.329 -13.131 -2.061 1.00 0.00 C ATOM 514 O THR A 36 -10.865 -13.408 -3.134 1.00 0.00 O ATOM 515 CB THR A 36 -10.009 -10.661 -1.910 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.495 -10.429 -3.236 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.504 -10.880 -1.946 1.00 0.00 C ATOM 0 H THR A 36 -9.958 -11.196 0.537 1.00 0.00 H new ATOM 0 HA THR A 36 -11.803 -11.731 -1.367 1.00 0.00 H new ATOM 0 HB THR A 36 -10.218 -9.789 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.036 -9.654 -3.622 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.020 -10.009 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.133 -11.026 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.279 -11.762 -2.545 1.00 0.00 H new ATOM 525 N SER A 37 -9.388 -13.888 -1.506 1.00 0.00 N ATOM 526 CA SER A 37 -8.918 -15.113 -2.143 1.00 0.00 C ATOM 527 C SER A 37 -9.944 -16.231 -1.993 1.00 0.00 C ATOM 528 O SER A 37 -10.505 -16.455 -0.920 1.00 0.00 O ATOM 529 CB SER A 37 -7.582 -15.547 -1.537 1.00 0.00 C ATOM 530 OG SER A 37 -6.642 -14.486 -1.560 1.00 0.00 O ATOM 0 H SER A 37 -8.936 -13.675 -0.617 1.00 0.00 H new ATOM 0 HA SER A 37 -8.779 -14.911 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.736 -15.879 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.187 -16.399 -2.091 1.00 0.00 H new ATOM 0 HG SER A 37 -6.834 -13.863 -0.828 1.00 0.00 H new ATOM 536 N PRO A 38 -10.198 -16.952 -3.096 1.00 0.00 N ATOM 537 CA PRO A 38 -11.158 -18.060 -3.114 1.00 0.00 C ATOM 538 C PRO A 38 -10.666 -19.265 -2.321 1.00 0.00 C ATOM 539 O PRO A 38 -11.432 -20.187 -2.037 1.00 0.00 O ATOM 540 CB PRO A 38 -11.270 -18.407 -4.601 1.00 0.00 C ATOM 541 CG PRO A 38 -9.980 -17.955 -5.194 1.00 0.00 C ATOM 542 CD PRO A 38 -9.567 -16.741 -4.410 1.00 0.00 C ATOM 0 HA PRO A 38 -12.107 -17.786 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.420 -19.477 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.117 -17.900 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.225 -18.738 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.099 -17.715 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.483 -16.666 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.916 -15.821 -4.880 1.00 0.00 H new ATOM 550 N ARG A 39 -9.386 -19.252 -1.966 1.00 0.00 N ATOM 551 CA ARG A 39 -8.792 -20.346 -1.205 1.00 0.00 C ATOM 552 C ARG A 39 -8.251 -19.847 0.131 1.00 0.00 C ATOM 553 O ARG A 39 -7.410 -20.495 0.752 1.00 0.00 O ATOM 554 CB ARG A 39 -7.669 -21.004 -2.009 1.00 0.00 C ATOM 555 CG ARG A 39 -8.166 -21.855 -3.166 1.00 0.00 C ATOM 556 CD ARG A 39 -7.076 -22.778 -3.687 1.00 0.00 C ATOM 557 NE ARG A 39 -7.353 -23.240 -5.045 1.00 0.00 N ATOM 558 CZ ARG A 39 -7.309 -22.451 -6.113 1.00 0.00 C ATOM 559 NH1 ARG A 39 -7.001 -21.169 -5.982 1.00 0.00 N ATOM 560 NH2 ARG A 39 -7.574 -22.946 -7.315 1.00 0.00 N ATOM 0 H ARG A 39 -8.740 -18.496 -2.193 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.570 -21.084 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.009 -20.228 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.072 -21.626 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.022 -22.447 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.513 -21.208 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.120 -22.255 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.981 -23.638 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.593 -24.222 -5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.797 -20.785 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.968 -20.566 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.812 -23.932 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.540 -22.340 -8.135 1.00 0.00 H new ATOM 574 N GLY A 40 -8.740 -18.691 0.568 1.00 0.00 N ATOM 575 CA GLY A 40 -8.294 -18.125 1.828 1.00 0.00 C ATOM 576 C GLY A 40 -6.788 -17.964 1.890 1.00 0.00 C ATOM 577 O GLY A 40 -6.193 -18.051 2.963 1.00 0.00 O ATOM 0 H GLY A 40 -9.437 -18.136 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.767 -17.154 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.622 -18.765 2.647 1.00 0.00 H new ATOM 581 N GLU A 41 -6.171 -17.731 0.736 1.00 0.00 N ATOM 582 CA GLU A 41 -4.724 -17.561 0.665 1.00 0.00 C ATOM 583 C GLU A 41 -4.339 -16.667 -0.510 1.00 0.00 C ATOM 584 O GLU A 41 -4.634 -16.960 -1.669 1.00 0.00 O ATOM 585 CB GLU A 41 -4.035 -18.921 0.533 1.00 0.00 C ATOM 586 CG GLU A 41 -4.578 -19.771 -0.604 1.00 0.00 C ATOM 587 CD GLU A 41 -3.838 -21.086 -0.753 1.00 0.00 C ATOM 588 OE1 GLU A 41 -4.096 -22.007 0.051 1.00 0.00 O ATOM 589 OE2 GLU A 41 -3.002 -21.195 -1.674 1.00 0.00 O ATOM 0 H GLU A 41 -6.650 -17.656 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.394 -17.082 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.967 -18.765 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.146 -19.468 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.635 -19.971 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.508 -19.211 -1.537 1.00 0.00 H new ATOM 596 N PRO A 42 -3.664 -15.549 -0.206 1.00 0.00 N ATOM 597 CA PRO A 42 -3.223 -14.589 -1.222 1.00 0.00 C ATOM 598 C PRO A 42 -2.104 -15.143 -2.097 1.00 0.00 C ATOM 599 O PRO A 42 -1.401 -16.074 -1.705 1.00 0.00 O ATOM 600 CB PRO A 42 -2.717 -13.404 -0.394 1.00 0.00 C ATOM 601 CG PRO A 42 -2.327 -13.996 0.916 1.00 0.00 C ATOM 602 CD PRO A 42 -3.277 -15.137 1.154 1.00 0.00 C ATOM 0 HA PRO A 42 -4.024 -14.332 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.869 -12.917 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.492 -12.647 -0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.295 -14.346 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.397 -13.257 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.799 -15.951 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.141 -14.825 1.740 1.00 0.00 H new ATOM 610 N GLN A 43 -1.945 -14.565 -3.283 1.00 0.00 N ATOM 611 CA GLN A 43 -0.911 -15.002 -4.213 1.00 0.00 C ATOM 612 C GLN A 43 0.355 -14.166 -4.053 1.00 0.00 C ATOM 613 O GLN A 43 0.289 -12.944 -3.915 1.00 0.00 O ATOM 614 CB GLN A 43 -1.419 -14.911 -5.653 1.00 0.00 C ATOM 615 CG GLN A 43 -2.152 -16.158 -6.120 1.00 0.00 C ATOM 616 CD GLN A 43 -2.899 -15.943 -7.421 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.548 -16.516 -8.453 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.935 -15.114 -7.380 1.00 0.00 N ATOM 0 H GLN A 43 -2.519 -13.793 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.669 -16.040 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.086 -14.053 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.574 -14.727 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.436 -16.970 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.856 -16.471 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.191 -14.661 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.475 -14.931 -8.226 1.00 0.00 H new ATOM 627 N ASP A 44 1.504 -14.831 -4.073 1.00 0.00 N ATOM 628 CA ASP A 44 2.785 -14.149 -3.932 1.00 0.00 C ATOM 629 C ASP A 44 2.855 -12.929 -4.845 1.00 0.00 C ATOM 630 O ASP A 44 2.664 -13.036 -6.056 1.00 0.00 O ATOM 631 CB ASP A 44 3.935 -15.106 -4.249 1.00 0.00 C ATOM 632 CG ASP A 44 5.263 -14.389 -4.389 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.389 -13.263 -3.863 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.178 -14.954 -5.024 1.00 0.00 O ATOM 0 H ASP A 44 1.575 -15.842 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 44 2.877 -13.813 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.010 -15.853 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.715 -15.640 -5.173 1.00 0.00 H new ATOM 639 N GLY A 45 3.129 -11.769 -4.256 1.00 0.00 N ATOM 640 CA GLY A 45 3.218 -10.546 -5.031 1.00 0.00 C ATOM 641 C GLY A 45 2.009 -9.651 -4.843 1.00 0.00 C ATOM 642 O GLY A 45 1.968 -8.534 -5.360 1.00 0.00 O ATOM 0 H GLY A 45 3.291 -11.655 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.117 -10.002 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.321 -10.795 -6.087 1.00 0.00 H new ATOM 646 N LEU A 46 1.021 -10.142 -4.104 1.00 0.00 N ATOM 647 CA LEU A 46 -0.197 -9.380 -3.850 1.00 0.00 C ATOM 648 C LEU A 46 0.127 -8.032 -3.215 1.00 0.00 C ATOM 649 O LEU A 46 0.528 -7.962 -2.053 1.00 0.00 O ATOM 650 CB LEU A 46 -1.138 -10.172 -2.941 1.00 0.00 C ATOM 651 CG LEU A 46 -2.626 -9.846 -3.068 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.110 -10.106 -4.486 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.437 -10.657 -2.068 1.00 0.00 C ATOM 0 H LEU A 46 1.039 -11.065 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.690 -9.202 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.000 -11.234 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.837 -10.005 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.767 -8.788 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.171 -9.868 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.551 -9.481 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.955 -11.156 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.494 -10.412 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.290 -11.720 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.108 -10.420 -1.056 1.00 0.00 H new ATOM 665 N TYR A 47 -0.051 -6.963 -3.983 1.00 0.00 N ATOM 666 CA TYR A 47 0.223 -5.617 -3.496 1.00 0.00 C ATOM 667 C TYR A 47 -1.024 -4.741 -3.585 1.00 0.00 C ATOM 668 O TYR A 47 -1.927 -5.007 -4.379 1.00 0.00 O ATOM 669 CB TYR A 47 1.362 -4.984 -4.295 1.00 0.00 C ATOM 670 CG TYR A 47 1.009 -4.710 -5.740 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.110 -5.707 -6.702 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.574 -3.453 -6.143 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.789 -5.461 -8.022 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.249 -3.198 -7.461 1.00 0.00 C ATOM 675 CZ TYR A 47 0.359 -4.205 -8.397 1.00 0.00 C ATOM 676 OH TYR A 47 0.037 -3.956 -9.712 1.00 0.00 O ATOM 0 H TYR A 47 -0.384 -7.003 -4.946 1.00 0.00 H new ATOM 0 HA TYR A 47 0.520 -5.691 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.654 -4.049 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.229 -5.643 -4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.446 -6.692 -6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.489 -2.662 -5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.874 -6.248 -8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.089 -2.216 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.249 -3.023 -9.808 1.00 0.00 H new ATOM 686 N CYS A 48 -1.065 -3.697 -2.766 1.00 0.00 N ATOM 687 CA CYS A 48 -2.200 -2.781 -2.751 1.00 0.00 C ATOM 688 C CYS A 48 -1.780 -1.403 -2.246 1.00 0.00 C ATOM 689 O CYS A 48 -0.599 -1.154 -2.003 1.00 0.00 O ATOM 690 CB CYS A 48 -3.321 -3.339 -1.873 1.00 0.00 C ATOM 691 SG CYS A 48 -3.219 -2.838 -0.139 1.00 0.00 S ATOM 0 H CYS A 48 -0.326 -3.463 -2.103 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.566 -2.678 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.280 -3.016 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.303 -4.427 -1.927 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.210 -3.358 0.522 1.00 0.00 H new ATOM 697 N ILE A 49 -2.755 -0.514 -2.093 1.00 0.00 N ATOM 698 CA ILE A 49 -2.486 0.838 -1.618 1.00 0.00 C ATOM 699 C ILE A 49 -3.539 1.286 -0.610 1.00 0.00 C ATOM 700 O ILE A 49 -4.679 1.575 -0.974 1.00 0.00 O ATOM 701 CB ILE A 49 -2.445 1.846 -2.782 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.351 1.461 -3.780 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.218 3.255 -2.255 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.494 2.138 -5.125 1.00 0.00 C ATOM 0 H ILE A 49 -3.737 -0.705 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.510 0.814 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.405 1.823 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.379 1.714 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.365 0.381 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.191 3.956 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.029 3.526 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.270 3.294 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.685 1.818 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.451 1.865 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.450 3.219 -4.995 1.00 0.00 H new ATOM 716 N ARG A 50 -3.149 1.343 0.659 1.00 0.00 N ATOM 717 CA ARG A 50 -4.059 1.756 1.721 1.00 0.00 C ATOM 718 C ARG A 50 -3.694 3.144 2.240 1.00 0.00 C ATOM 719 O ARG A 50 -2.613 3.659 1.956 1.00 0.00 O ATOM 720 CB ARG A 50 -4.029 0.746 2.869 1.00 0.00 C ATOM 721 CG ARG A 50 -2.712 0.725 3.627 1.00 0.00 C ATOM 722 CD ARG A 50 -2.886 0.164 5.030 1.00 0.00 C ATOM 723 NE ARG A 50 -1.603 -0.111 5.673 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.874 0.816 6.284 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.299 2.071 6.336 1.00 0.00 N ATOM 726 NH2 ARG A 50 0.283 0.488 6.845 1.00 0.00 N ATOM 0 H ARG A 50 -2.209 1.108 0.977 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.067 1.795 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.836 0.976 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.225 -0.250 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.986 0.123 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.308 1.736 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.451 0.872 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.472 -0.754 4.983 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.248 -1.067 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.188 2.327 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.737 2.781 6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.613 -0.476 6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.842 1.200 7.314 1.00 0.00 H new ATOM 740 N ASN A 51 -4.603 3.743 3.002 1.00 0.00 N ATOM 741 CA ASN A 51 -4.377 5.072 3.559 1.00 0.00 C ATOM 742 C ASN A 51 -3.422 5.008 4.747 1.00 0.00 C ATOM 743 O ASN A 51 -3.212 3.945 5.332 1.00 0.00 O ATOM 744 CB ASN A 51 -5.704 5.699 3.992 1.00 0.00 C ATOM 745 CG ASN A 51 -6.416 6.393 2.846 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.411 7.621 2.751 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.032 5.609 1.970 1.00 0.00 N ATOM 0 H ASN A 51 -5.503 3.330 3.248 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.925 5.691 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.352 4.925 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.520 6.418 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.527 6.019 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.010 4.596 2.088 1.00 0.00 H new ATOM 830 N LYS A 58 -0.524 8.155 1.296 1.00 0.00 N ATOM 831 CA LYS A 58 -0.850 6.752 1.070 1.00 0.00 C ATOM 832 C LYS A 58 0.320 5.853 1.456 1.00 0.00 C ATOM 833 O LYS A 58 1.464 6.303 1.529 1.00 0.00 O ATOM 834 CB LYS A 58 -1.220 6.523 -0.398 1.00 0.00 C ATOM 835 CG LYS A 58 -2.604 7.031 -0.762 1.00 0.00 C ATOM 836 CD LYS A 58 -3.692 6.100 -0.254 1.00 0.00 C ATOM 837 CE LYS A 58 -4.953 6.204 -1.098 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.596 7.541 -0.972 1.00 0.00 N ATOM 0 HA LYS A 58 -1.704 6.497 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.483 7.017 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.165 5.456 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.750 8.026 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.684 7.128 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.328 5.073 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.926 6.343 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.707 6.016 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.659 5.431 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.452 7.572 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.854 7.710 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.932 8.277 -1.287 1.00 0.00 H new ATOM 852 N VAL A 59 0.027 4.580 1.701 1.00 0.00 N ATOM 853 CA VAL A 59 1.055 3.617 2.078 1.00 0.00 C ATOM 854 C VAL A 59 0.908 2.320 1.290 1.00 0.00 C ATOM 855 O VAL A 59 -0.121 1.648 1.366 1.00 0.00 O ATOM 856 CB VAL A 59 1.002 3.299 3.584 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.044 2.252 3.945 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.200 4.565 4.403 1.00 0.00 C ATOM 0 H VAL A 59 -0.914 4.191 1.645 1.00 0.00 H new ATOM 0 HA VAL A 59 2.017 4.074 1.845 1.00 0.00 H new ATOM 0 HB VAL A 59 0.018 2.893 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.992 2.040 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.851 1.338 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.037 2.627 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.160 4.322 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.170 5.003 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.412 5.280 4.164 1.00 0.00 H new ATOM 868 N LEU A 60 1.944 1.974 0.533 1.00 0.00 N ATOM 869 CA LEU A 60 1.931 0.756 -0.270 1.00 0.00 C ATOM 870 C LEU A 60 2.199 -0.470 0.597 1.00 0.00 C ATOM 871 O LEU A 60 3.188 -0.522 1.329 1.00 0.00 O ATOM 872 CB LEU A 60 2.976 0.845 -1.384 1.00 0.00 C ATOM 873 CG LEU A 60 3.434 -0.485 -1.982 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.449 -0.963 -3.037 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.830 -0.351 -2.574 1.00 0.00 C ATOM 0 H LEU A 60 2.803 2.519 0.459 1.00 0.00 H new ATOM 0 HA LEU A 60 0.941 0.654 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.571 1.461 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.851 1.365 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 60 3.469 -1.227 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.792 -1.911 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.467 -1.099 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.381 -0.222 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.140 -1.307 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.821 0.405 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.530 -0.055 -1.792 1.00 0.00 H new ATOM 887 N VAL A 61 1.313 -1.457 0.508 1.00 0.00 N ATOM 888 CA VAL A 61 1.455 -2.685 1.281 1.00 0.00 C ATOM 889 C VAL A 61 1.504 -3.906 0.369 1.00 0.00 C ATOM 890 O VAL A 61 0.529 -4.227 -0.309 1.00 0.00 O ATOM 891 CB VAL A 61 0.299 -2.853 2.284 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.323 -4.245 2.898 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.371 -1.784 3.364 1.00 0.00 C ATOM 0 H VAL A 61 0.489 -1.430 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 61 2.394 -2.607 1.830 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.643 -2.734 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.501 -4.345 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.219 -4.992 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.268 -4.396 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.454 -1.918 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.318 -1.869 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.301 -0.798 2.905 1.00 0.00 H new ATOM 903 N VAL A 62 2.648 -4.584 0.359 1.00 0.00 N ATOM 904 CA VAL A 62 2.824 -5.771 -0.468 1.00 0.00 C ATOM 905 C VAL A 62 2.757 -7.042 0.372 1.00 0.00 C ATOM 906 O VAL A 62 3.074 -7.028 1.562 1.00 0.00 O ATOM 907 CB VAL A 62 4.168 -5.737 -1.220 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.211 -6.819 -2.288 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.401 -4.364 -1.831 1.00 0.00 C ATOM 0 H VAL A 62 3.466 -4.331 0.914 1.00 0.00 H new ATOM 0 HA VAL A 62 2.010 -5.775 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 62 4.968 -5.933 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.168 -6.779 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.093 -7.797 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.403 -6.658 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.355 -4.358 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.597 -4.136 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.418 -3.613 -1.042 1.00 0.00 H new ATOM 919 N TRP A 63 2.344 -8.137 -0.254 1.00 0.00 N ATOM 920 CA TRP A 63 2.236 -9.417 0.437 1.00 0.00 C ATOM 921 C TRP A 63 3.487 -10.261 0.219 1.00 0.00 C ATOM 922 O TRP A 63 3.807 -10.633 -0.910 1.00 0.00 O ATOM 923 CB TRP A 63 1.001 -10.179 -0.048 1.00 0.00 C ATOM 924 CG TRP A 63 0.912 -11.573 0.495 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.144 -12.734 -0.186 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.565 -11.952 1.831 1.00 0.00 C ATOM 927 NE1 TRP A 63 0.962 -13.812 0.647 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.607 -13.359 1.890 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.224 -11.240 2.984 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.320 -14.064 3.056 1.00 0.00 C ATOM 931 CZ3 TRP A 63 -0.061 -11.941 4.141 1.00 0.00 C ATOM 932 CH2 TRP A 63 -0.011 -13.341 4.170 1.00 0.00 C ATOM 0 H TRP A 63 2.078 -8.165 -1.238 1.00 0.00 H new ATOM 0 HA TRP A 63 2.136 -9.218 1.504 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.106 -9.627 0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.013 -10.221 -1.137 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.429 -12.796 -1.226 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.073 -14.791 0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.184 -10.161 2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.357 -15.143 3.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.327 -11.400 5.037 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.238 -13.860 5.090 1.00 0.00 H new ATOM 943 N ASP A 64 4.190 -10.560 1.306 1.00 0.00 N ATOM 944 CA ASP A 64 5.406 -11.362 1.233 1.00 0.00 C ATOM 945 C ASP A 64 5.091 -12.844 1.407 1.00 0.00 C ATOM 946 O ASP A 64 5.334 -13.419 2.468 1.00 0.00 O ATOM 947 CB ASP A 64 6.404 -10.911 2.300 1.00 0.00 C ATOM 948 CG ASP A 64 7.793 -11.474 2.069 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.144 -11.726 0.897 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.528 -11.663 3.060 1.00 0.00 O ATOM 0 H ASP A 64 3.939 -10.259 2.248 1.00 0.00 H new ATOM 0 HA ASP A 64 5.849 -11.217 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.454 -9.822 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.047 -11.223 3.282 1.00 0.00 H new ATOM 955 N GLU A 65 4.548 -13.456 0.360 1.00 0.00 N ATOM 956 CA GLU A 65 4.198 -14.871 0.399 1.00 0.00 C ATOM 957 C GLU A 65 5.365 -15.706 0.918 1.00 0.00 C ATOM 958 O GLU A 65 5.171 -16.784 1.482 1.00 0.00 O ATOM 959 CB GLU A 65 3.789 -15.357 -0.993 1.00 0.00 C ATOM 960 CG GLU A 65 3.680 -16.869 -1.103 1.00 0.00 C ATOM 961 CD GLU A 65 2.645 -17.307 -2.121 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.438 -17.147 -1.848 1.00 0.00 O ATOM 963 OE2 GLU A 65 3.045 -17.809 -3.193 1.00 0.00 O ATOM 0 H GLU A 65 4.341 -12.994 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 65 3.356 -14.992 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.829 -14.912 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.517 -15.000 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.651 -17.280 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.423 -17.283 -0.128 1.00 0.00 H new ATOM 970 N THR A 66 6.579 -15.201 0.724 1.00 0.00 N ATOM 971 CA THR A 66 7.778 -15.899 1.170 1.00 0.00 C ATOM 972 C THR A 66 7.807 -16.027 2.689 1.00 0.00 C ATOM 973 O THR A 66 8.275 -17.029 3.228 1.00 0.00 O ATOM 974 CB THR A 66 9.056 -15.177 0.702 1.00 0.00 C ATOM 975 OG1 THR A 66 9.161 -13.902 1.346 1.00 0.00 O ATOM 976 CG2 THR A 66 9.050 -14.989 -0.807 1.00 0.00 C ATOM 0 H THR A 66 6.758 -14.310 0.260 1.00 0.00 H new ATOM 0 HA THR A 66 7.748 -16.894 0.725 1.00 0.00 H new ATOM 0 HB THR A 66 9.914 -15.793 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.788 -13.209 0.762 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.962 -14.477 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.999 -15.962 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.185 -14.392 -1.096 1.00 0.00 H new ATOM 984 N SER A 67 7.302 -15.005 3.373 1.00 0.00 N ATOM 985 CA SER A 67 7.273 -15.002 4.831 1.00 0.00 C ATOM 986 C SER A 67 5.839 -14.917 5.346 1.00 0.00 C ATOM 987 O SER A 67 5.607 -14.726 6.539 1.00 0.00 O ATOM 988 CB SER A 67 8.093 -13.831 5.376 1.00 0.00 C ATOM 989 OG SER A 67 9.471 -14.154 5.429 1.00 0.00 O ATOM 0 H SER A 67 6.908 -14.169 2.941 1.00 0.00 H new ATOM 0 HA SER A 67 7.711 -15.937 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.946 -12.955 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.739 -13.568 6.373 1.00 0.00 H new ATOM 0 HG SER A 67 9.973 -13.389 5.779 1.00 0.00 H new ATOM 995 N ASN A 68 4.881 -15.061 4.436 1.00 0.00 N ATOM 996 CA ASN A 68 3.470 -15.001 4.796 1.00 0.00 C ATOM 997 C ASN A 68 3.185 -13.789 5.678 1.00 0.00 C ATOM 998 O ASN A 68 2.458 -13.883 6.667 1.00 0.00 O ATOM 999 CB ASN A 68 3.051 -16.282 5.521 1.00 0.00 C ATOM 1000 CG ASN A 68 1.545 -16.440 5.593 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.901 -16.816 4.614 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.975 -16.151 6.758 1.00 0.00 N ATOM 0 H ASN A 68 5.057 -15.220 3.444 1.00 0.00 H new ATOM 0 HA ASN A 68 2.891 -14.905 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.480 -17.143 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.461 -16.275 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.035 -16.238 6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.548 -15.843 7.544 1.00 0.00 H new ATOM 1009 N LYS A 69 3.762 -12.649 5.312 1.00 0.00 N ATOM 1010 CA LYS A 69 3.570 -11.417 6.067 1.00 0.00 C ATOM 1011 C LYS A 69 3.445 -10.219 5.130 1.00 0.00 C ATOM 1012 O LYS A 69 3.832 -10.288 3.963 1.00 0.00 O ATOM 1013 CB LYS A 69 4.735 -11.201 7.035 1.00 0.00 C ATOM 1014 CG LYS A 69 6.082 -11.066 6.346 1.00 0.00 C ATOM 1015 CD LYS A 69 7.174 -10.673 7.327 1.00 0.00 C ATOM 1016 CE LYS A 69 7.273 -9.163 7.475 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.909 -8.773 8.764 1.00 0.00 N ATOM 0 H LYS A 69 4.367 -12.553 4.496 1.00 0.00 H new ATOM 0 HA LYS A 69 2.645 -11.509 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.546 -10.303 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.776 -12.037 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.343 -12.010 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.014 -10.317 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.970 -11.122 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.130 -11.070 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.851 -8.754 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.276 -8.726 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.958 -7.736 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.344 -9.142 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.870 -9.169 8.811 1.00 0.00 H new ATOM 1031 N VAL A 70 2.903 -9.122 5.649 1.00 0.00 N ATOM 1032 CA VAL A 70 2.730 -7.908 4.860 1.00 0.00 C ATOM 1033 C VAL A 70 3.798 -6.875 5.199 1.00 0.00 C ATOM 1034 O VAL A 70 4.306 -6.838 6.320 1.00 0.00 O ATOM 1035 CB VAL A 70 1.339 -7.286 5.085 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.246 -8.313 4.830 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.231 -6.719 6.493 1.00 0.00 C ATOM 0 H VAL A 70 2.576 -9.049 6.612 1.00 0.00 H new ATOM 0 HA VAL A 70 2.826 -8.195 3.813 1.00 0.00 H new ATOM 0 HB VAL A 70 1.207 -6.468 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.729 -7.855 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.312 -8.667 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.371 -9.154 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.242 -6.283 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.384 -7.517 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.990 -5.950 6.635 1.00 0.00 H new ATOM 1047 N ARG A 71 4.133 -6.036 4.224 1.00 0.00 N ATOM 1048 CA ARG A 71 5.141 -5.001 4.419 1.00 0.00 C ATOM 1049 C ARG A 71 4.534 -3.612 4.251 1.00 0.00 C ATOM 1050 O ARG A 71 3.575 -3.429 3.502 1.00 0.00 O ATOM 1051 CB ARG A 71 6.293 -5.190 3.431 1.00 0.00 C ATOM 1052 CG ARG A 71 6.963 -6.550 3.529 1.00 0.00 C ATOM 1053 CD ARG A 71 7.963 -6.598 4.674 1.00 0.00 C ATOM 1054 NE ARG A 71 8.816 -7.781 4.606 1.00 0.00 N ATOM 1055 CZ ARG A 71 10.008 -7.862 5.188 1.00 0.00 C ATOM 1056 NH1 ARG A 71 10.484 -6.834 5.877 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.726 -8.973 5.081 1.00 0.00 N ATOM 0 H ARG A 71 3.721 -6.053 3.291 1.00 0.00 H new ATOM 0 HA ARG A 71 5.525 -5.089 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.917 -5.052 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.039 -4.414 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.205 -7.320 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.471 -6.775 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.583 -5.702 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.428 -6.591 5.623 1.00 0.00 H new ATOM 0 HE ARG A 71 8.479 -8.589 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.935 -5.978 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.399 -6.899 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.363 -9.766 4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.641 -9.034 5.528 1.00 0.00 H new ATOM 1071 N ASN A 72 5.100 -2.635 4.952 1.00 0.00 N ATOM 1072 CA ASN A 72 4.614 -1.262 4.881 1.00 0.00 C ATOM 1073 C ASN A 72 5.577 -0.384 4.088 1.00 0.00 C ATOM 1074 O ASN A 72 6.751 -0.260 4.438 1.00 0.00 O ATOM 1075 CB ASN A 72 4.427 -0.691 6.288 1.00 0.00 C ATOM 1076 CG ASN A 72 5.389 -1.300 7.291 1.00 0.00 C ATOM 1077 OD1 ASN A 72 6.443 -0.733 7.579 1.00 0.00 O ATOM 1078 ND2 ASN A 72 5.028 -2.459 7.828 1.00 0.00 N ATOM 0 H ASN A 72 5.896 -2.769 5.576 1.00 0.00 H new ATOM 0 HA ASN A 72 3.652 -1.270 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.570 0.389 6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.403 -0.869 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.634 -2.916 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.145 -2.892 7.559 1.00 0.00 H new ATOM 1085 N TYR A 73 5.073 0.223 3.020 1.00 0.00 N ATOM 1086 CA TYR A 73 5.889 1.088 2.176 1.00 0.00 C ATOM 1087 C TYR A 73 5.269 2.477 2.060 1.00 0.00 C ATOM 1088 O TYR A 73 4.438 2.728 1.187 1.00 0.00 O ATOM 1089 CB TYR A 73 6.051 0.472 0.785 1.00 0.00 C ATOM 1090 CG TYR A 73 7.001 -0.703 0.750 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.359 -0.518 0.521 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.541 -2.000 0.949 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.230 -1.590 0.487 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.406 -3.077 0.919 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.749 -2.867 0.687 1.00 0.00 C ATOM 1096 OH TYR A 73 9.614 -3.937 0.656 1.00 0.00 O ATOM 0 H TYR A 73 4.103 0.132 2.718 1.00 0.00 H new ATOM 0 HA TYR A 73 6.871 1.185 2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.074 0.150 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.409 1.238 0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.740 0.481 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.490 -2.168 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.282 -1.429 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.032 -4.078 1.076 1.00 0.00 H new ATOM 0 HH TYR A 73 10.479 -3.648 0.296 1.00 0.00 H new ATOM 1106 N ARG A 74 5.682 3.377 2.946 1.00 0.00 N ATOM 1107 CA ARG A 74 5.168 4.742 2.945 1.00 0.00 C ATOM 1108 C ARG A 74 5.363 5.395 1.580 1.00 0.00 C ATOM 1109 O ARG A 74 6.461 5.374 1.022 1.00 0.00 O ATOM 1110 CB ARG A 74 5.865 5.573 4.024 1.00 0.00 C ATOM 1111 CG ARG A 74 5.426 7.028 4.051 1.00 0.00 C ATOM 1112 CD ARG A 74 5.730 7.676 5.392 1.00 0.00 C ATOM 1113 NE ARG A 74 5.076 8.975 5.533 1.00 0.00 N ATOM 1114 CZ ARG A 74 5.468 9.906 6.395 1.00 0.00 C ATOM 1115 NH1 ARG A 74 6.506 9.683 7.189 1.00 0.00 N ATOM 1116 NH2 ARG A 74 4.822 11.063 6.464 1.00 0.00 N ATOM 0 H ARG A 74 6.371 3.186 3.674 1.00 0.00 H new ATOM 0 HA ARG A 74 4.100 4.702 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.669 5.125 4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.942 5.530 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.933 7.577 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.357 7.090 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.403 7.016 6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.808 7.799 5.499 1.00 0.00 H new ATOM 0 HE ARG A 74 4.274 9.178 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.005 8.795 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.805 10.399 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.023 11.238 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.124 11.777 7.127 1.00 0.00 H new ATOM 1130 N ILE A 75 4.292 5.973 1.048 1.00 0.00 N ATOM 1131 CA ILE A 75 4.345 6.633 -0.251 1.00 0.00 C ATOM 1132 C ILE A 75 4.498 8.142 -0.095 1.00 0.00 C ATOM 1133 O ILE A 75 3.510 8.875 -0.043 1.00 0.00 O ATOM 1134 CB ILE A 75 3.084 6.339 -1.084 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.932 4.833 -1.307 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.145 7.073 -2.415 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.544 4.424 -1.748 1.00 0.00 C ATOM 0 H ILE A 75 3.376 5.998 1.496 1.00 0.00 H new ATOM 0 HA ILE A 75 5.215 6.234 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 75 2.213 6.695 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.653 4.511 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.180 4.310 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.246 6.855 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.210 8.146 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.023 6.744 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.510 3.343 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.820 4.715 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.301 4.918 -2.688 1.00 0.00 H new ATOM 1149 N PHE A 76 5.744 8.601 -0.024 1.00 0.00 N ATOM 1150 CA PHE A 76 6.027 10.023 0.124 1.00 0.00 C ATOM 1151 C PHE A 76 5.626 10.792 -1.132 1.00 0.00 C ATOM 1152 O PHE A 76 5.477 10.210 -2.206 1.00 0.00 O ATOM 1153 CB PHE A 76 7.513 10.241 0.416 1.00 0.00 C ATOM 1154 CG PHE A 76 8.003 9.492 1.622 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.837 10.016 2.894 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.629 8.264 1.484 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.287 9.329 4.006 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.080 7.572 2.592 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.910 8.106 3.855 1.00 0.00 C ATOM 0 H PHE A 76 6.573 8.008 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 76 5.440 10.399 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.095 9.934 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.694 11.306 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.350 10.972 3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.766 7.843 0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.151 9.748 4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.565 6.615 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.264 7.568 4.722 1.00 0.00 H new ATOM 1169 N GLU A 77 5.452 12.102 -0.987 1.00 0.00 N ATOM 1170 CA GLU A 77 5.067 12.949 -2.110 1.00 0.00 C ATOM 1171 C GLU A 77 6.052 14.101 -2.284 1.00 0.00 C ATOM 1172 O GLU A 77 5.906 15.157 -1.668 1.00 0.00 O ATOM 1173 CB GLU A 77 3.654 13.499 -1.901 1.00 0.00 C ATOM 1174 CG GLU A 77 3.098 14.223 -3.116 1.00 0.00 C ATOM 1175 CD GLU A 77 1.990 15.195 -2.758 1.00 0.00 C ATOM 1176 OE1 GLU A 77 2.102 15.862 -1.709 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.012 15.288 -3.529 1.00 0.00 O ATOM 0 H GLU A 77 5.571 12.599 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 77 5.082 12.340 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.987 12.676 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.661 14.183 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.904 14.763 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.718 13.491 -3.829 1.00 0.00 H new ATOM 1184 N LYS A 78 7.057 13.890 -3.128 1.00 0.00 N ATOM 1185 CA LYS A 78 8.067 14.910 -3.386 1.00 0.00 C ATOM 1186 C LYS A 78 8.076 15.306 -4.859 1.00 0.00 C ATOM 1187 O LYS A 78 7.924 14.460 -5.740 1.00 0.00 O ATOM 1188 CB LYS A 78 9.451 14.401 -2.976 1.00 0.00 C ATOM 1189 CG LYS A 78 10.595 15.162 -3.623 1.00 0.00 C ATOM 1190 CD LYS A 78 11.938 14.743 -3.049 1.00 0.00 C ATOM 1191 CE LYS A 78 12.209 15.419 -1.713 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.436 14.885 -1.060 1.00 0.00 N ATOM 0 H LYS A 78 7.194 13.021 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 78 7.819 15.790 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.547 14.469 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.533 13.346 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.587 14.987 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.452 16.232 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.958 13.661 -2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.731 14.996 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.316 16.493 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.354 15.274 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.586 15.371 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.324 13.865 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.256 15.046 -1.679 1.00 0.00 H new ATOM 1206 N ASP A 79 8.256 16.597 -5.118 1.00 0.00 N ATOM 1207 CA ASP A 79 8.287 17.105 -6.485 1.00 0.00 C ATOM 1208 C ASP A 79 7.075 16.620 -7.273 1.00 0.00 C ATOM 1209 O ASP A 79 7.155 16.401 -8.482 1.00 0.00 O ATOM 1210 CB ASP A 79 9.575 16.668 -7.185 1.00 0.00 C ATOM 1211 CG ASP A 79 10.791 17.421 -6.684 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.965 18.595 -7.074 1.00 0.00 O ATOM 1213 OD2 ASP A 79 11.568 16.837 -5.900 1.00 0.00 O ATOM 0 H ASP A 79 8.383 17.310 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 79 8.257 18.194 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.724 15.599 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.472 16.824 -8.259 1.00 0.00 H new ATOM 1218 N SER A 80 5.953 16.452 -6.580 1.00 0.00 N ATOM 1219 CA SER A 80 4.724 15.988 -7.214 1.00 0.00 C ATOM 1220 C SER A 80 4.907 14.587 -7.790 1.00 0.00 C ATOM 1221 O SER A 80 4.327 14.246 -8.821 1.00 0.00 O ATOM 1222 CB SER A 80 4.300 16.955 -8.321 1.00 0.00 C ATOM 1223 OG SER A 80 3.705 18.121 -7.778 1.00 0.00 O ATOM 0 H SER A 80 5.870 16.630 -5.579 1.00 0.00 H new ATOM 0 HA SER A 80 3.943 15.952 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.168 17.231 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.595 16.461 -8.990 1.00 0.00 H new ATOM 0 HG SER A 80 3.444 18.724 -8.505 1.00 0.00 H new ATOM 1229 N LYS A 81 5.717 13.778 -7.115 1.00 0.00 N ATOM 1230 CA LYS A 81 5.976 12.413 -7.557 1.00 0.00 C ATOM 1231 C LYS A 81 6.061 11.463 -6.366 1.00 0.00 C ATOM 1232 O LYS A 81 6.739 11.749 -5.379 1.00 0.00 O ATOM 1233 CB LYS A 81 7.275 12.354 -8.364 1.00 0.00 C ATOM 1234 CG LYS A 81 7.343 13.379 -9.483 1.00 0.00 C ATOM 1235 CD LYS A 81 8.165 12.870 -10.655 1.00 0.00 C ATOM 1236 CE LYS A 81 8.535 13.998 -11.607 1.00 0.00 C ATOM 1237 NZ LYS A 81 7.339 14.767 -12.047 1.00 0.00 N ATOM 0 H LYS A 81 6.205 14.044 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 81 5.147 12.099 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.118 12.507 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.384 11.356 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.335 13.618 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.780 14.303 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.072 12.393 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.601 12.108 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.239 14.671 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.043 13.585 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.092 14.498 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.540 14.556 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.549 15.785 -12.012 1.00 0.00 H new ATOM 1251 N PHE A 82 5.372 10.332 -6.467 1.00 0.00 N ATOM 1252 CA PHE A 82 5.370 9.339 -5.398 1.00 0.00 C ATOM 1253 C PHE A 82 6.716 8.626 -5.316 1.00 0.00 C ATOM 1254 O PHE A 82 7.250 8.166 -6.326 1.00 0.00 O ATOM 1255 CB PHE A 82 4.253 8.319 -5.623 1.00 0.00 C ATOM 1256 CG PHE A 82 2.949 8.939 -6.037 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.245 9.753 -5.164 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.427 8.708 -7.300 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.045 10.324 -5.543 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.227 9.276 -7.684 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.536 10.086 -6.805 1.00 0.00 C ATOM 0 H PHE A 82 4.807 10.079 -7.278 1.00 0.00 H new ATOM 0 HA PHE A 82 5.195 9.857 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.568 7.610 -6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.101 7.751 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.639 9.943 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.964 8.077 -7.992 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.505 10.956 -4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.830 9.086 -8.670 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.401 10.533 -7.104 1.00 0.00 H new ATOM 1271 N TYR A 83 7.260 8.539 -4.107 1.00 0.00 N ATOM 1272 CA TYR A 83 8.546 7.886 -3.893 1.00 0.00 C ATOM 1273 C TYR A 83 8.572 7.163 -2.549 1.00 0.00 C ATOM 1274 O TYR A 83 7.931 7.591 -1.588 1.00 0.00 O ATOM 1275 CB TYR A 83 9.679 8.910 -3.955 1.00 0.00 C ATOM 1276 CG TYR A 83 9.830 9.724 -2.690 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.571 9.245 -1.616 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.232 10.972 -2.567 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.711 9.984 -0.458 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.368 11.719 -1.413 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.108 11.221 -0.362 1.00 0.00 C ATOM 1282 OH TYR A 83 10.245 11.962 0.790 1.00 0.00 O ATOM 0 H TYR A 83 6.830 8.912 -3.261 1.00 0.00 H new ATOM 0 HA TYR A 83 8.687 7.150 -4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.616 8.391 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.502 9.585 -4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.046 8.278 -1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.651 11.365 -3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.289 9.596 0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.897 12.688 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 83 9.679 11.581 1.493 1.00 0.00 H new ATOM 1292 N LEU A 84 9.317 6.065 -2.490 1.00 0.00 N ATOM 1293 CA LEU A 84 9.428 5.281 -1.265 1.00 0.00 C ATOM 1294 C LEU A 84 10.814 5.433 -0.646 1.00 0.00 C ATOM 1295 O LEU A 84 10.958 5.457 0.576 1.00 0.00 O ATOM 1296 CB LEU A 84 9.145 3.805 -1.553 1.00 0.00 C ATOM 1297 CG LEU A 84 7.945 3.516 -2.455 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.752 2.016 -2.621 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.686 4.158 -1.891 1.00 0.00 C ATOM 0 H LEU A 84 9.853 5.697 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 84 8.690 5.654 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.032 3.368 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.992 3.293 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 84 8.140 3.948 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.893 1.829 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.645 1.582 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.579 1.561 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.842 3.942 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.486 3.756 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.826 5.237 -1.824 1.00 0.00 H new ATOM 1311 N GLU A 85 11.829 5.538 -1.497 1.00 0.00 N ATOM 1312 CA GLU A 85 13.203 5.690 -1.032 1.00 0.00 C ATOM 1313 C GLU A 85 13.580 7.165 -0.923 1.00 0.00 C ATOM 1314 O GLU A 85 14.045 7.622 0.121 1.00 0.00 O ATOM 1315 CB GLU A 85 14.168 4.974 -1.980 1.00 0.00 C ATOM 1316 CG GLU A 85 14.112 5.489 -3.409 1.00 0.00 C ATOM 1317 CD GLU A 85 14.843 4.587 -4.383 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.079 4.719 -4.501 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.179 3.749 -5.028 1.00 0.00 O ATOM 0 H GLU A 85 11.726 5.521 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 85 13.277 5.240 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.184 5.085 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.942 3.908 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.071 5.582 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.546 6.488 -3.449 1.00 0.00 H new ATOM 1326 N GLY A 86 13.377 7.904 -2.009 1.00 0.00 N ATOM 1327 CA GLY A 86 13.702 9.318 -2.015 1.00 0.00 C ATOM 1328 C GLY A 86 14.135 9.808 -3.383 1.00 0.00 C ATOM 1329 O GLY A 86 13.310 9.962 -4.283 1.00 0.00 O ATOM 0 H GLY A 86 12.993 7.549 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.833 9.889 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.499 9.508 -1.296 1.00 0.00 H new ATOM 1333 N GLU A 87 15.432 10.055 -3.538 1.00 0.00 N ATOM 1334 CA GLU A 87 15.972 10.532 -4.806 1.00 0.00 C ATOM 1335 C GLU A 87 15.194 9.949 -5.982 1.00 0.00 C ATOM 1336 O GLU A 87 14.937 10.635 -6.972 1.00 0.00 O ATOM 1337 CB GLU A 87 17.452 10.165 -4.926 1.00 0.00 C ATOM 1338 CG GLU A 87 17.715 8.669 -4.864 1.00 0.00 C ATOM 1339 CD GLU A 87 19.104 8.300 -5.346 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.369 8.441 -6.558 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.927 7.871 -4.510 1.00 0.00 O ATOM 0 H GLU A 87 16.128 9.933 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 87 15.872 11.617 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.839 10.555 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.006 10.656 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.587 8.324 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.974 8.148 -5.470 1.00 0.00 H new ATOM 1348 N VAL A 88 14.822 8.678 -5.867 1.00 0.00 N ATOM 1349 CA VAL A 88 14.074 8.002 -6.920 1.00 0.00 C ATOM 1350 C VAL A 88 12.571 8.137 -6.699 1.00 0.00 C ATOM 1351 O VAL A 88 12.008 7.519 -5.794 1.00 0.00 O ATOM 1352 CB VAL A 88 14.439 6.508 -6.996 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.713 5.840 -8.154 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.944 6.333 -7.129 1.00 0.00 C ATOM 0 H VAL A 88 15.027 8.096 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 88 14.345 8.483 -7.860 1.00 0.00 H new ATOM 0 HB VAL A 88 14.121 6.027 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.983 4.785 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.636 5.934 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.999 6.322 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.184 5.271 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.289 6.828 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.439 6.775 -6.264 1.00 0.00 H new ATOM 1364 N LEU A 89 11.927 8.947 -7.531 1.00 0.00 N ATOM 1365 CA LEU A 89 10.488 9.163 -7.427 1.00 0.00 C ATOM 1366 C LEU A 89 9.779 8.732 -8.708 1.00 0.00 C ATOM 1367 O LEU A 89 10.420 8.328 -9.678 1.00 0.00 O ATOM 1368 CB LEU A 89 10.193 10.636 -7.138 1.00 0.00 C ATOM 1369 CG LEU A 89 11.210 11.364 -6.259 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.276 12.030 -7.115 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.514 12.391 -5.377 1.00 0.00 C ATOM 0 H LEU A 89 12.378 9.465 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 89 10.113 8.556 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.120 11.165 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.216 10.703 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 89 11.696 10.631 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.991 12.543 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.795 11.273 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.807 12.751 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.253 12.900 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.001 13.121 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.788 11.889 -4.737 1.00 0.00 H new ATOM 1383 N PHE A 90 8.453 8.824 -8.703 1.00 0.00 N ATOM 1384 CA PHE A 90 7.657 8.445 -9.865 1.00 0.00 C ATOM 1385 C PHE A 90 6.500 9.418 -10.072 1.00 0.00 C ATOM 1386 O PHE A 90 5.617 9.540 -9.223 1.00 0.00 O ATOM 1387 CB PHE A 90 7.119 7.023 -9.698 1.00 0.00 C ATOM 1388 CG PHE A 90 8.196 5.987 -9.548 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.694 5.663 -8.296 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.712 5.338 -10.658 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.686 4.711 -8.155 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.704 4.385 -10.523 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.191 4.071 -9.269 1.00 0.00 C ATOM 0 H PHE A 90 7.908 9.157 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 90 8.301 8.482 -10.744 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.470 6.989 -8.823 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.503 6.773 -10.562 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.303 6.160 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.335 5.580 -11.641 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.066 4.468 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.098 3.887 -11.397 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.965 3.326 -9.160 1.00 0.00 H new ATOM 1403 N VAL A 91 6.513 10.109 -11.208 1.00 0.00 N ATOM 1404 CA VAL A 91 5.465 11.072 -11.528 1.00 0.00 C ATOM 1405 C VAL A 91 4.084 10.503 -11.221 1.00 0.00 C ATOM 1406 O VAL A 91 3.141 11.247 -10.952 1.00 0.00 O ATOM 1407 CB VAL A 91 5.519 11.487 -13.010 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.827 10.451 -13.881 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.893 12.860 -13.201 1.00 0.00 C ATOM 0 H VAL A 91 7.237 10.020 -11.921 1.00 0.00 H new ATOM 0 HA VAL A 91 5.640 11.950 -10.906 1.00 0.00 H new ATOM 0 HB VAL A 91 6.564 11.543 -13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.876 10.762 -14.925 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.324 9.488 -13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.784 10.359 -13.578 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.940 13.138 -14.254 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.852 12.833 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.438 13.594 -12.608 1.00 0.00 H new ATOM 1419 N SER A 92 3.973 9.179 -11.263 1.00 0.00 N ATOM 1420 CA SER A 92 2.706 8.510 -10.992 1.00 0.00 C ATOM 1421 C SER A 92 2.938 7.078 -10.520 1.00 0.00 C ATOM 1422 O SER A 92 3.907 6.431 -10.915 1.00 0.00 O ATOM 1423 CB SER A 92 1.827 8.510 -12.245 1.00 0.00 C ATOM 1424 OG SER A 92 2.538 8.014 -13.366 1.00 0.00 O ATOM 0 H SER A 92 4.745 8.549 -11.482 1.00 0.00 H new ATOM 0 HA SER A 92 2.196 9.057 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.942 7.898 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.480 9.523 -12.450 1.00 0.00 H new ATOM 0 HG SER A 92 1.955 8.022 -14.153 1.00 0.00 H new ATOM 1430 N VAL A 93 2.039 6.589 -9.670 1.00 0.00 N ATOM 1431 CA VAL A 93 2.144 5.234 -9.143 1.00 0.00 C ATOM 1432 C VAL A 93 2.395 4.228 -10.261 1.00 0.00 C ATOM 1433 O VAL A 93 3.244 3.345 -10.137 1.00 0.00 O ATOM 1434 CB VAL A 93 0.869 4.829 -8.380 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.987 3.403 -7.862 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.601 5.798 -7.239 1.00 0.00 C ATOM 0 H VAL A 93 1.231 7.111 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 93 2.989 5.226 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 93 0.025 4.872 -9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.077 3.134 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.128 2.722 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.840 3.330 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.304 5.497 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.444 5.789 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.470 6.804 -7.639 1.00 0.00 H new ATOM 1446 N GLY A 94 1.651 4.367 -11.354 1.00 0.00 N ATOM 1447 CA GLY A 94 1.809 3.464 -12.479 1.00 0.00 C ATOM 1448 C GLY A 94 3.264 3.189 -12.803 1.00 0.00 C ATOM 1449 O GLY A 94 3.731 2.057 -12.682 1.00 0.00 O ATOM 0 H GLY A 94 0.942 5.089 -11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.305 2.523 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.320 3.890 -13.355 1.00 0.00 H new ATOM 1453 N SER A 95 3.982 4.228 -13.217 1.00 0.00 N ATOM 1454 CA SER A 95 5.392 4.093 -13.565 1.00 0.00 C ATOM 1455 C SER A 95 6.156 3.363 -12.464 1.00 0.00 C ATOM 1456 O SER A 95 6.986 2.498 -12.738 1.00 0.00 O ATOM 1457 CB SER A 95 6.014 5.469 -13.807 1.00 0.00 C ATOM 1458 OG SER A 95 5.908 5.844 -15.170 1.00 0.00 O ATOM 0 H SER A 95 3.611 5.172 -13.320 1.00 0.00 H new ATOM 0 HA SER A 95 5.460 3.506 -14.481 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.517 6.211 -13.183 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.063 5.455 -13.511 1.00 0.00 H new ATOM 0 HG SER A 95 6.311 6.728 -15.298 1.00 0.00 H new ATOM 1464 N MET A 96 5.868 3.721 -11.217 1.00 0.00 N ATOM 1465 CA MET A 96 6.527 3.101 -10.073 1.00 0.00 C ATOM 1466 C MET A 96 6.391 1.582 -10.126 1.00 0.00 C ATOM 1467 O MET A 96 7.381 0.857 -10.032 1.00 0.00 O ATOM 1468 CB MET A 96 5.935 3.632 -8.766 1.00 0.00 C ATOM 1469 CG MET A 96 6.724 3.225 -7.532 1.00 0.00 C ATOM 1470 SD MET A 96 6.174 4.081 -6.043 1.00 0.00 S ATOM 1471 CE MET A 96 4.450 3.597 -5.991 1.00 0.00 C ATOM 0 H MET A 96 5.183 4.437 -10.973 1.00 0.00 H new ATOM 0 HA MET A 96 7.586 3.356 -10.113 1.00 0.00 H new ATOM 0 HB2 MET A 96 5.887 4.720 -8.814 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.911 3.272 -8.668 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.630 2.149 -7.384 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.781 3.433 -7.696 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.132 3.495 -4.953 1.00 0.00 H new ATOM 0 HE2 MET A 96 3.844 4.357 -6.483 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.324 2.644 -6.504 1.00 0.00 H new ATOM 1481 N VAL A 97 5.159 1.107 -10.276 1.00 0.00 N ATOM 1482 CA VAL A 97 4.894 -0.325 -10.342 1.00 0.00 C ATOM 1483 C VAL A 97 5.696 -0.981 -11.459 1.00 0.00 C ATOM 1484 O VAL A 97 6.325 -2.020 -11.258 1.00 0.00 O ATOM 1485 CB VAL A 97 3.397 -0.609 -10.565 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.132 -2.107 -10.567 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.559 0.087 -9.503 1.00 0.00 C ATOM 0 H VAL A 97 4.328 1.693 -10.354 1.00 0.00 H new ATOM 0 HA VAL A 97 5.198 -0.747 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 97 3.111 -0.212 -11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.069 -2.288 -10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.704 -2.577 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.433 -2.531 -9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.504 -0.124 -9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.845 -0.278 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.727 1.163 -9.555 1.00 0.00 H new ATOM 1497 N GLU A 98 5.671 -0.367 -12.638 1.00 0.00 N ATOM 1498 CA GLU A 98 6.396 -0.893 -13.789 1.00 0.00 C ATOM 1499 C GLU A 98 7.898 -0.922 -13.518 1.00 0.00 C ATOM 1500 O GLU A 98 8.605 -1.822 -13.972 1.00 0.00 O ATOM 1501 CB GLU A 98 6.107 -0.049 -15.032 1.00 0.00 C ATOM 1502 CG GLU A 98 4.709 0.545 -15.052 1.00 0.00 C ATOM 1503 CD GLU A 98 4.176 0.734 -16.459 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.581 -0.034 -17.356 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.352 1.651 -16.662 1.00 0.00 O ATOM 0 H GLU A 98 5.157 0.495 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 98 6.056 -1.913 -13.965 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.837 0.759 -15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.243 -0.666 -15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.034 -0.105 -14.496 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.719 1.507 -14.539 1.00 0.00 H new ATOM 1512 N HIS A 99 8.379 0.071 -12.775 1.00 0.00 N ATOM 1513 CA HIS A 99 9.796 0.160 -12.444 1.00 0.00 C ATOM 1514 C HIS A 99 10.191 -0.928 -11.449 1.00 0.00 C ATOM 1515 O HIS A 99 11.175 -1.640 -11.652 1.00 0.00 O ATOM 1516 CB HIS A 99 10.121 1.538 -11.866 1.00 0.00 C ATOM 1517 CG HIS A 99 11.427 1.588 -11.135 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.748 1.234 -9.869 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.593 2.049 -11.710 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 13.088 1.483 -9.703 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.575 1.975 -10.829 1.00 0.00 N flip ATOM 0 H HIS A 99 7.808 0.824 -12.392 1.00 0.00 H new ATOM 0 HA HIS A 99 10.368 0.015 -13.361 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.139 2.267 -12.676 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.322 1.836 -11.187 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.112 0.853 -9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.688 2.413 -12.722 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.652 1.306 -8.799 1.00 0.00 H new ATOM 1530 N TYR A 100 9.418 -1.050 -10.376 1.00 0.00 N ATOM 1531 CA TYR A 100 9.689 -2.048 -9.348 1.00 0.00 C ATOM 1532 C TYR A 100 9.489 -3.459 -9.893 1.00 0.00 C ATOM 1533 O TYR A 100 10.129 -4.409 -9.441 1.00 0.00 O ATOM 1534 CB TYR A 100 8.782 -1.824 -8.137 1.00 0.00 C ATOM 1535 CG TYR A 100 9.131 -0.587 -7.341 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.456 -0.241 -7.103 1.00 0.00 C ATOM 1537 CD2 TYR A 100 8.137 0.234 -6.824 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.779 0.888 -6.375 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.451 1.365 -6.096 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.774 1.688 -5.874 1.00 0.00 C ATOM 1541 OH TYR A 100 10.091 2.813 -5.149 1.00 0.00 O ATOM 0 H TYR A 100 8.599 -0.470 -10.195 1.00 0.00 H new ATOM 0 HA TYR A 100 10.729 -1.941 -9.039 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.749 -1.748 -8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.840 -2.695 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.246 -0.865 -7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.100 -0.016 -6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.814 1.143 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.665 1.993 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 100 9.393 3.489 -5.273 1.00 0.00 H new ATOM 1551 N HIS A 101 8.595 -3.588 -10.869 1.00 0.00 N ATOM 1552 CA HIS A 101 8.310 -4.882 -11.478 1.00 0.00 C ATOM 1553 C HIS A 101 9.597 -5.668 -11.713 1.00 0.00 C ATOM 1554 O HIS A 101 9.589 -6.899 -11.740 1.00 0.00 O ATOM 1555 CB HIS A 101 7.565 -4.694 -12.801 1.00 0.00 C ATOM 1556 CG HIS A 101 6.075 -4.729 -12.659 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.227 -5.036 -13.702 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.282 -4.495 -11.587 1.00 0.00 C ATOM 1559 CE1 HIS A 101 3.976 -4.987 -13.279 1.00 0.00 C ATOM 1560 NE2 HIS A 101 3.982 -4.662 -11.999 1.00 0.00 N ATOM 0 H HIS A 101 8.056 -2.812 -11.254 1.00 0.00 H new ATOM 0 HA HIS A 101 7.680 -5.448 -10.792 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.858 -3.741 -13.241 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.874 -5.474 -13.497 1.00 0.00 H new ATOM 0 HD1 HIS A 101 5.520 -5.265 -14.652 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.610 -4.227 -10.594 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.098 -5.180 -13.878 1.00 0.00 H new ATOM 1569 N THR A 102 10.701 -4.948 -11.883 1.00 0.00 N ATOM 1570 CA THR A 102 11.995 -5.577 -12.117 1.00 0.00 C ATOM 1571 C THR A 102 12.978 -5.245 -11.000 1.00 0.00 C ATOM 1572 O THR A 102 13.946 -5.973 -10.774 1.00 0.00 O ATOM 1573 CB THR A 102 12.598 -5.137 -13.464 1.00 0.00 C ATOM 1574 OG1 THR A 102 14.025 -5.250 -13.422 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.208 -3.703 -13.789 1.00 0.00 C ATOM 0 H THR A 102 10.725 -3.928 -11.863 1.00 0.00 H new ATOM 0 HA THR A 102 11.824 -6.653 -12.138 1.00 0.00 H new ATOM 0 HB THR A 102 12.205 -5.790 -14.243 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.401 -4.970 -14.283 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.646 -3.415 -14.745 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.122 -3.626 -13.849 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.576 -3.040 -13.007 1.00 0.00 H new ATOM 1583 N HIS A 103 12.724 -4.142 -10.303 1.00 0.00 N ATOM 1584 CA HIS A 103 13.587 -3.714 -9.208 1.00 0.00 C ATOM 1585 C HIS A 103 12.915 -3.957 -7.860 1.00 0.00 C ATOM 1586 O HIS A 103 12.205 -3.094 -7.344 1.00 0.00 O ATOM 1587 CB HIS A 103 13.939 -2.234 -9.356 1.00 0.00 C ATOM 1588 CG HIS A 103 15.133 -1.986 -10.225 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.073 -1.014 -9.953 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.539 -2.591 -11.365 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.004 -1.031 -10.890 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.704 -1.980 -11.759 1.00 0.00 N ATOM 0 H HIS A 103 11.928 -3.529 -10.477 1.00 0.00 H new ATOM 0 HA HIS A 103 14.503 -4.303 -9.249 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.081 -1.705 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.125 -1.813 -8.368 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.039 -3.404 -11.871 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.864 -0.380 -10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.249 -2.220 -12.587 1.00 0.00 H new ATOM 1601 N VAL A 104 13.142 -5.139 -7.295 1.00 0.00 N ATOM 1602 CA VAL A 104 12.559 -5.495 -6.007 1.00 0.00 C ATOM 1603 C VAL A 104 12.470 -4.281 -5.089 1.00 0.00 C ATOM 1604 O VAL A 104 13.353 -3.422 -5.091 1.00 0.00 O ATOM 1605 CB VAL A 104 13.376 -6.596 -5.306 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.867 -6.362 -5.502 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.028 -6.658 -3.826 1.00 0.00 C ATOM 0 H VAL A 104 13.725 -5.866 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 104 11.555 -5.870 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 104 13.121 -7.555 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.428 -7.150 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.100 -6.373 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.142 -5.395 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.615 -7.442 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.253 -5.699 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.967 -6.878 -3.711 1.00 0.00 H new ATOM 1617 N LEU A 105 11.401 -4.217 -4.304 1.00 0.00 N ATOM 1618 CA LEU A 105 11.196 -3.108 -3.378 1.00 0.00 C ATOM 1619 C LEU A 105 12.265 -3.103 -2.290 1.00 0.00 C ATOM 1620 O LEU A 105 12.873 -4.127 -1.978 1.00 0.00 O ATOM 1621 CB LEU A 105 9.807 -3.197 -2.744 1.00 0.00 C ATOM 1622 CG LEU A 105 8.660 -3.557 -3.689 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.427 -3.969 -2.899 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.340 -2.389 -4.610 1.00 0.00 C ATOM 0 H LEU A 105 10.662 -4.920 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 105 11.272 -2.178 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.841 -3.939 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.580 -2.238 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 105 8.972 -4.402 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.621 -4.222 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.663 -4.837 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.112 -3.144 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.521 -2.664 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.048 -1.525 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.221 -2.141 -5.202 1.00 0.00 H new ATOM 1636 N PRO A 106 12.498 -1.923 -1.696 1.00 0.00 N ATOM 1637 CA PRO A 106 13.492 -1.757 -0.631 1.00 0.00 C ATOM 1638 C PRO A 106 13.071 -2.438 0.667 1.00 0.00 C ATOM 1639 O PRO A 106 11.908 -2.802 0.839 1.00 0.00 O ATOM 1640 CB PRO A 106 13.558 -0.239 -0.441 1.00 0.00 C ATOM 1641 CG PRO A 106 12.232 0.258 -0.905 1.00 0.00 C ATOM 1642 CD PRO A 106 11.811 -0.662 -2.017 1.00 0.00 C ATOM 0 HA PRO A 106 14.448 -2.210 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.736 0.022 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.370 0.198 -1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.505 0.247 -0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.302 1.288 -1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.729 -0.790 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.111 -0.278 -2.992 1.00 0.00 H new ATOM 1650 N SER A 107 14.024 -2.607 1.578 1.00 0.00 N ATOM 1651 CA SER A 107 13.752 -3.248 2.859 1.00 0.00 C ATOM 1652 C SER A 107 13.350 -4.706 2.662 1.00 0.00 C ATOM 1653 O SER A 107 12.660 -5.290 3.498 1.00 0.00 O ATOM 1654 CB SER A 107 12.646 -2.498 3.604 1.00 0.00 C ATOM 1655 OG SER A 107 13.044 -1.172 3.907 1.00 0.00 O ATOM 0 H SER A 107 14.991 -2.309 1.453 1.00 0.00 H new ATOM 0 HA SER A 107 14.665 -3.218 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.742 -2.480 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.400 -3.027 4.525 1.00 0.00 H new ATOM 0 HG SER A 107 12.319 -0.713 4.381 1.00 0.00 H new ATOM 1661 N HIS A 108 13.787 -5.289 1.550 1.00 0.00 N ATOM 1662 CA HIS A 108 13.474 -6.680 1.243 1.00 0.00 C ATOM 1663 C HIS A 108 14.568 -7.307 0.384 1.00 0.00 C ATOM 1664 O HIS A 108 15.591 -6.678 0.111 1.00 0.00 O ATOM 1665 CB HIS A 108 12.128 -6.775 0.523 1.00 0.00 C ATOM 1666 CG HIS A 108 11.316 -7.967 0.925 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.383 -9.179 0.270 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.416 -8.129 1.923 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.558 -10.034 0.848 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.959 -9.422 1.854 1.00 0.00 N ATOM 0 H HIS A 108 14.358 -4.820 0.847 1.00 0.00 H new ATOM 0 HA HIS A 108 13.415 -7.229 2.183 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.554 -5.870 0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.302 -6.811 -0.552 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.976 -9.383 -0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.114 -7.380 2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.400 -11.060 0.549 1.00 0.00 H new ATOM 1679 N GLN A 109 14.347 -8.548 -0.036 1.00 0.00 N ATOM 1680 CA GLN A 109 15.315 -9.259 -0.862 1.00 0.00 C ATOM 1681 C GLN A 109 14.755 -9.519 -2.257 1.00 0.00 C ATOM 1682 O GLN A 109 15.321 -9.078 -3.256 1.00 0.00 O ATOM 1683 CB GLN A 109 15.707 -10.581 -0.202 1.00 0.00 C ATOM 1684 CG GLN A 109 14.520 -11.471 0.131 1.00 0.00 C ATOM 1685 CD GLN A 109 14.782 -12.375 1.319 1.00 0.00 C ATOM 1686 OE1 GLN A 109 14.672 -13.598 1.219 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.132 -11.778 2.452 1.00 0.00 N ATOM 0 H GLN A 109 13.506 -9.082 0.182 1.00 0.00 H new ATOM 0 HA GLN A 109 16.202 -8.632 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.382 -11.122 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.261 -10.370 0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.651 -10.847 0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.274 -12.082 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.211 -10.762 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.322 -12.336 3.285 1.00 0.00 H new ATOM 1696 N SER A 110 13.640 -10.240 -2.316 1.00 0.00 N ATOM 1697 CA SER A 110 13.005 -10.563 -3.588 1.00 0.00 C ATOM 1698 C SER A 110 11.497 -10.343 -3.514 1.00 0.00 C ATOM 1699 O SER A 110 10.712 -11.267 -3.732 1.00 0.00 O ATOM 1700 CB SER A 110 13.302 -12.012 -3.977 1.00 0.00 C ATOM 1701 OG SER A 110 12.652 -12.918 -3.102 1.00 0.00 O ATOM 0 H SER A 110 13.158 -10.612 -1.498 1.00 0.00 H new ATOM 0 HA SER A 110 13.414 -9.899 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.974 -12.192 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.378 -12.186 -3.952 1.00 0.00 H new ATOM 0 HG SER A 110 11.684 -12.770 -3.138 1.00 0.00 H new ATOM 1707 N LEU A 111 11.099 -9.114 -3.205 1.00 0.00 N ATOM 1708 CA LEU A 111 9.685 -8.771 -3.102 1.00 0.00 C ATOM 1709 C LEU A 111 9.272 -7.820 -4.221 1.00 0.00 C ATOM 1710 O LEU A 111 9.402 -6.602 -4.094 1.00 0.00 O ATOM 1711 CB LEU A 111 9.392 -8.134 -1.742 1.00 0.00 C ATOM 1712 CG LEU A 111 7.980 -7.582 -1.550 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.942 -8.645 -1.874 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.796 -7.071 -0.128 1.00 0.00 C ATOM 0 H LEU A 111 11.735 -8.338 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 111 9.106 -9.689 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.578 -8.878 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.102 -7.323 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 111 7.841 -6.747 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.943 -8.233 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.059 -8.964 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.079 -9.501 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.785 -6.682 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.955 -7.888 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.516 -6.277 0.069 1.00 0.00 H new ATOM 1726 N LEU A 112 8.772 -8.384 -5.315 1.00 0.00 N ATOM 1727 CA LEU A 112 8.337 -7.586 -6.456 1.00 0.00 C ATOM 1728 C LEU A 112 6.815 -7.532 -6.535 1.00 0.00 C ATOM 1729 O LEU A 112 6.121 -8.310 -5.879 1.00 0.00 O ATOM 1730 CB LEU A 112 8.906 -8.164 -7.753 1.00 0.00 C ATOM 1731 CG LEU A 112 10.413 -8.426 -7.768 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.727 -9.689 -8.554 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.156 -7.233 -8.352 1.00 0.00 C ATOM 0 H LEU A 112 8.658 -9.390 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 112 8.711 -6.571 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.392 -9.102 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.669 -7.479 -8.567 1.00 0.00 H new ATOM 0 HG LEU A 112 10.748 -8.569 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.804 -9.859 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.225 -10.539 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.378 -9.575 -9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.227 -7.437 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.817 -7.058 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.957 -6.349 -7.747 1.00 0.00 H new ATOM 1745 N LEU A 113 6.302 -6.611 -7.342 1.00 0.00 N ATOM 1746 CA LEU A 113 4.861 -6.456 -7.509 1.00 0.00 C ATOM 1747 C LEU A 113 4.364 -7.249 -8.714 1.00 0.00 C ATOM 1748 O LEU A 113 4.439 -6.782 -9.851 1.00 0.00 O ATOM 1749 CB LEU A 113 4.502 -4.979 -7.674 1.00 0.00 C ATOM 1750 CG LEU A 113 5.210 -4.007 -6.729 1.00 0.00 C ATOM 1751 CD1 LEU A 113 5.017 -2.572 -7.196 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.699 -4.179 -5.306 1.00 0.00 C ATOM 0 H LEU A 113 6.862 -5.960 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 113 4.373 -6.844 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.724 -4.684 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.426 -4.870 -7.537 1.00 0.00 H new ATOM 0 HG LEU A 113 6.277 -4.231 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.528 -1.895 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.432 -2.456 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.953 -2.335 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.214 -3.479 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.627 -3.982 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.889 -5.199 -4.972 1.00 0.00 H new ATOM 1764 N ARG A 114 3.855 -8.450 -8.457 1.00 0.00 N ATOM 1765 CA ARG A 114 3.345 -9.307 -9.520 1.00 0.00 C ATOM 1766 C ARG A 114 1.886 -8.981 -9.828 1.00 0.00 C ATOM 1767 O ARG A 114 1.557 -8.544 -10.931 1.00 0.00 O ATOM 1768 CB ARG A 114 3.477 -10.779 -9.125 1.00 0.00 C ATOM 1769 CG ARG A 114 4.917 -11.254 -9.019 1.00 0.00 C ATOM 1770 CD ARG A 114 5.074 -12.323 -7.949 1.00 0.00 C ATOM 1771 NE ARG A 114 6.463 -12.476 -7.527 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.347 -13.233 -8.167 1.00 0.00 C ATOM 1773 NH1 ARG A 114 6.988 -13.903 -9.253 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.594 -13.321 -7.721 1.00 0.00 N ATOM 0 H ARG A 114 3.785 -8.851 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 114 3.938 -9.124 -10.416 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.980 -10.936 -8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.954 -11.392 -9.859 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.242 -11.650 -9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.564 -10.408 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.460 -12.065 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.704 -13.275 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 114 6.772 -11.974 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.031 -13.838 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.669 -14.484 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.874 -12.807 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.272 -13.903 -8.213 1.00 0.00 H new ATOM 1788 N HIS A 115 1.017 -9.198 -8.846 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.407 -8.927 -9.013 1.00 0.00 C ATOM 1790 C HIS A 115 -0.921 -8.017 -7.901 1.00 0.00 C ATOM 1791 O HIS A 115 -0.600 -8.192 -6.725 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.198 -10.235 -9.024 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.451 -11.383 -9.629 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.193 -11.484 -10.980 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.098 -12.481 -9.060 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.480 -12.596 -11.216 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.670 -13.219 -10.067 1.00 0.00 N ATOM 0 H HIS A 115 1.273 -9.560 -7.927 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.546 -8.419 -9.967 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.474 -10.491 -8.001 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.125 -10.084 -9.577 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.088 -12.731 -8.009 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.817 -12.937 -12.183 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.162 -14.105 -9.947 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.736 -7.022 -8.279 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.311 -6.065 -7.328 1.00 0.00 C ATOM 1808 C PRO A 116 -3.354 -6.706 -6.419 1.00 0.00 C ATOM 1809 O PRO A 116 -3.611 -7.908 -6.504 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.963 -5.015 -8.232 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.258 -5.738 -9.501 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.161 -6.755 -9.663 1.00 0.00 C ATOM 0 HA PRO A 116 -1.558 -5.659 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.873 -4.616 -7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.295 -4.171 -8.403 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.234 -6.221 -9.457 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.280 -5.050 -10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.521 -7.659 -10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.341 -6.368 -10.268 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.952 -5.898 -5.551 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.966 -6.388 -4.625 1.00 0.00 C ATOM 1822 C TYR A 117 -6.369 -6.130 -5.167 1.00 0.00 C ATOM 1823 O TYR A 117 -6.587 -5.197 -5.939 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.804 -5.719 -3.259 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.032 -5.825 -2.383 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.503 -7.062 -1.960 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.721 -4.689 -1.978 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.625 -7.164 -1.160 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.843 -4.780 -1.178 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.292 -6.020 -0.772 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.409 -6.117 0.026 1.00 0.00 O ATOM 0 H TYR A 117 -3.752 -4.901 -5.469 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.831 -7.464 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.958 -6.171 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.563 -4.666 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.983 -7.959 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.373 -3.717 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.978 -8.133 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.366 -3.886 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.868 -6.964 -0.155 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.318 -6.964 -4.754 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.689 -6.811 -5.207 1.00 0.00 C ATOM 1843 C GLY A 118 -8.882 -7.274 -6.637 1.00 0.00 C ATOM 1844 O GLY A 118 -9.820 -8.013 -6.936 1.00 0.00 O ATOM 0 H GLY A 118 -7.163 -7.743 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.350 -7.379 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.981 -5.764 -5.125 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.995 -6.838 -7.523 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.075 -7.209 -8.931 1.00 0.00 C ATOM 1850 C TYR A 119 -8.373 -8.697 -9.086 1.00 0.00 C ATOM 1851 O TYR A 119 -8.066 -9.500 -8.204 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.768 -6.861 -9.647 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.822 -7.073 -11.143 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.488 -6.175 -11.968 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.207 -8.171 -11.732 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.540 -6.365 -13.335 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.253 -8.368 -13.098 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.921 -7.463 -13.896 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.970 -7.655 -15.257 1.00 0.00 O ATOM 0 H TYR A 119 -7.212 -6.227 -7.292 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.890 -6.645 -9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.519 -5.819 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.963 -7.467 -9.231 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.973 -5.314 -11.533 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.684 -8.883 -11.111 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.063 -5.658 -13.962 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.768 -9.226 -13.539 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.484 -8.474 -15.490 1.00 0.00 H new