USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 46 GLN : amide:sc= -5.4! C(o=-4.7!,f=-6.4!) USER MOD Set 1.2: A 55 THR OG1 : rot -97:sc= 0.745 USER MOD Single : A 10 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.016 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc=-0.00833 (180deg=-0.169) USER MOD Single : A 20 MET CE :methyl -145:sc= -0.122 (180deg=-1.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -105:sc= -1.27! USER MOD Single : A 25 HIS : no HE2:sc= -7.22 K(o=-7.2,f=-9!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.76! C(o=-5.8!,f=-5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 53 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.885 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -3.24! K(o=-3.2!,f=-0.35) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -9.28! C(o=-9.3!,f=-5.6!) USER MOD Single : A 92 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -4.930 4.869 10.186 1.00 0.00 N ATOM 157 CA TYR A 10 -4.639 5.132 8.787 1.00 0.00 C ATOM 158 C TYR A 10 -5.924 5.410 8.003 1.00 0.00 C ATOM 159 O TYR A 10 -6.779 4.534 7.876 1.00 0.00 O ATOM 160 CB TYR A 10 -3.991 3.857 8.245 1.00 0.00 C ATOM 161 CG TYR A 10 -4.927 2.647 8.212 1.00 0.00 C ATOM 162 CD1 TYR A 10 -5.322 2.049 9.392 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.377 2.155 7.004 1.00 0.00 C ATOM 164 CE1 TYR A 10 -6.202 0.910 9.362 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.259 1.017 6.974 1.00 0.00 C ATOM 166 CZ TYR A 10 -6.627 0.451 8.154 1.00 0.00 C ATOM 167 OH TYR A 10 -7.460 -0.625 8.126 1.00 0.00 O ATOM 0 HA TYR A 10 -3.994 6.005 8.686 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.626 4.048 7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.123 3.615 8.858 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.971 2.436 10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.068 2.623 6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.517 0.431 10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.620 0.622 6.036 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.683 -0.842 7.197 1.00 0.00 H new ATOM 177 N LYS A 11 -6.019 6.630 7.497 1.00 0.00 N ATOM 178 CA LYS A 11 -7.185 7.033 6.731 1.00 0.00 C ATOM 179 C LYS A 11 -6.883 6.888 5.237 1.00 0.00 C ATOM 180 O LYS A 11 -5.753 6.590 4.855 1.00 0.00 O ATOM 181 CB LYS A 11 -7.631 8.442 7.132 1.00 0.00 C ATOM 182 CG LYS A 11 -6.670 9.498 6.584 1.00 0.00 C ATOM 183 CD LYS A 11 -7.396 10.823 6.336 1.00 0.00 C ATOM 184 CE LYS A 11 -8.382 10.699 5.175 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.358 11.923 4.342 1.00 0.00 N ATOM 0 H LYS A 11 -5.307 7.353 7.603 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.029 6.380 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.637 8.630 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.678 8.517 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.853 9.653 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.225 9.143 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.928 11.125 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.669 11.605 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.128 9.832 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.388 10.534 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.033 11.822 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.622 12.744 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.401 12.064 3.959 1.00 0.00 H new ATOM 199 N CYS A 12 -7.914 7.103 4.434 1.00 0.00 N ATOM 200 CA CYS A 12 -7.774 6.999 2.992 1.00 0.00 C ATOM 201 C CYS A 12 -6.596 7.875 2.559 1.00 0.00 C ATOM 202 O CYS A 12 -6.324 8.904 3.176 1.00 0.00 O ATOM 203 CB CYS A 12 -9.065 7.384 2.267 1.00 0.00 C ATOM 204 SG CYS A 12 -9.029 6.761 0.547 1.00 0.00 S ATOM 0 H CYS A 12 -8.850 7.349 4.755 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.577 5.962 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.925 6.970 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.182 8.468 2.267 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.131 7.092 -0.058 1.00 0.00 H new ATOM 210 N GLY A 13 -5.928 7.435 1.504 1.00 0.00 N ATOM 211 CA GLY A 13 -4.786 8.164 0.981 1.00 0.00 C ATOM 212 C GLY A 13 -3.494 7.732 1.678 1.00 0.00 C ATOM 213 O GLY A 13 -2.401 8.096 1.247 1.00 0.00 O ATOM 0 H GLY A 13 -6.156 6.581 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.700 7.991 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.938 9.234 1.120 1.00 0.00 H new ATOM 217 N ASP A 14 -3.663 6.962 2.742 1.00 0.00 N ATOM 218 CA ASP A 14 -2.524 6.475 3.501 1.00 0.00 C ATOM 219 C ASP A 14 -1.795 5.402 2.691 1.00 0.00 C ATOM 220 O ASP A 14 -2.413 4.690 1.901 1.00 0.00 O ATOM 221 CB ASP A 14 -2.970 5.847 4.823 1.00 0.00 C ATOM 222 CG ASP A 14 -1.834 5.424 5.756 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.366 6.299 6.517 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.456 4.234 5.685 1.00 0.00 O ATOM 0 H ASP A 14 -4.571 6.663 3.097 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.870 7.323 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.606 6.559 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.584 4.973 4.604 1.00 0.00 H new ATOM 229 N LEU A 15 -0.491 5.318 2.914 1.00 0.00 N ATOM 230 CA LEU A 15 0.327 4.343 2.213 1.00 0.00 C ATOM 231 C LEU A 15 1.001 3.423 3.233 1.00 0.00 C ATOM 232 O LEU A 15 1.589 3.894 4.206 1.00 0.00 O ATOM 233 CB LEU A 15 1.310 5.046 1.274 1.00 0.00 C ATOM 234 CG LEU A 15 1.282 4.591 -0.187 1.00 0.00 C ATOM 235 CD1 LEU A 15 2.346 5.321 -1.008 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.421 3.071 -0.291 1.00 0.00 C ATOM 0 H LEU A 15 0.019 5.909 3.570 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.292 3.713 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.109 6.117 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.319 4.900 1.660 1.00 0.00 H new ATOM 0 HG LEU A 15 0.312 4.855 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.305 4.980 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.160 6.394 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.332 5.110 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.398 2.774 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.367 2.761 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.597 2.593 0.239 1.00 0.00 H new ATOM 248 N VAL A 16 0.892 2.128 2.976 1.00 0.00 N ATOM 249 CA VAL A 16 1.484 1.138 3.859 1.00 0.00 C ATOM 250 C VAL A 16 1.861 -0.103 3.048 1.00 0.00 C ATOM 251 O VAL A 16 1.645 -0.148 1.837 1.00 0.00 O ATOM 252 CB VAL A 16 0.530 0.830 5.014 1.00 0.00 C ATOM 253 CG1 VAL A 16 -0.047 -0.581 4.887 1.00 0.00 C ATOM 254 CG2 VAL A 16 1.223 1.018 6.365 1.00 0.00 C ATOM 0 H VAL A 16 0.403 1.741 2.169 1.00 0.00 H new ATOM 0 HA VAL A 16 2.400 1.525 4.306 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.297 1.538 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.722 -0.774 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.595 -0.667 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.765 -1.309 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.522 0.792 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.079 0.346 6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.563 2.049 6.459 1.00 0.00 H new ATOM 264 N PHE A 17 2.417 -1.082 3.747 1.00 0.00 N ATOM 265 CA PHE A 17 2.826 -2.321 3.105 1.00 0.00 C ATOM 266 C PHE A 17 1.703 -3.359 3.154 1.00 0.00 C ATOM 267 O PHE A 17 1.373 -3.874 4.220 1.00 0.00 O ATOM 268 CB PHE A 17 4.030 -2.852 3.886 1.00 0.00 C ATOM 269 CG PHE A 17 5.124 -1.810 4.128 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.694 -1.166 3.074 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.525 -1.528 5.397 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.710 -0.199 3.299 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.541 -0.561 5.620 1.00 0.00 C ATOM 274 CZ PHE A 17 7.111 0.083 4.567 1.00 0.00 C ATOM 0 H PHE A 17 2.594 -1.043 4.751 1.00 0.00 H new ATOM 0 HA PHE A 17 3.069 -2.137 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.687 -3.233 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.459 -3.695 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.374 -1.390 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.071 -2.039 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.164 0.312 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.861 -0.337 6.627 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.883 0.819 4.738 1.00 0.00 H new ATOM 284 N ALA A 18 1.147 -3.636 1.984 1.00 0.00 N ATOM 285 CA ALA A 18 0.066 -4.604 1.879 1.00 0.00 C ATOM 286 C ALA A 18 0.647 -5.971 1.515 1.00 0.00 C ATOM 287 O ALA A 18 1.691 -6.054 0.870 1.00 0.00 O ATOM 288 CB ALA A 18 -0.960 -4.115 0.855 1.00 0.00 C ATOM 0 H ALA A 18 1.424 -3.208 1.100 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.451 -4.708 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.770 -4.840 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.363 -3.154 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.479 -4.002 -0.117 1.00 0.00 H new ATOM 294 N LYS A 19 -0.054 -7.010 1.944 1.00 0.00 N ATOM 295 CA LYS A 19 0.379 -8.370 1.670 1.00 0.00 C ATOM 296 C LYS A 19 -0.689 -9.083 0.838 1.00 0.00 C ATOM 297 O LYS A 19 -1.882 -8.947 1.104 1.00 0.00 O ATOM 298 CB LYS A 19 0.727 -9.092 2.974 1.00 0.00 C ATOM 299 CG LYS A 19 2.025 -9.890 2.828 1.00 0.00 C ATOM 300 CD LYS A 19 2.950 -9.655 4.024 1.00 0.00 C ATOM 301 CE LYS A 19 2.795 -10.768 5.063 1.00 0.00 C ATOM 302 NZ LYS A 19 3.411 -12.022 4.577 1.00 0.00 N ATOM 0 H LYS A 19 -0.919 -6.938 2.480 1.00 0.00 H new ATOM 0 HA LYS A 19 1.294 -8.368 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.831 -8.365 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.087 -9.762 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.796 -10.952 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.533 -9.600 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.985 -9.611 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.723 -8.692 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.263 -10.466 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.738 -10.933 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.604 -12.650 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.761 -12.495 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.302 -11.804 4.087 1.00 0.00 H new ATOM 316 N MET A 20 -0.221 -9.828 -0.151 1.00 0.00 N ATOM 317 CA MET A 20 -1.122 -10.563 -1.024 1.00 0.00 C ATOM 318 C MET A 20 -0.770 -12.052 -1.045 1.00 0.00 C ATOM 319 O MET A 20 0.393 -12.422 -0.892 1.00 0.00 O ATOM 320 CB MET A 20 -1.031 -9.997 -2.444 1.00 0.00 C ATOM 321 CG MET A 20 -2.209 -10.469 -3.297 1.00 0.00 C ATOM 322 SD MET A 20 -3.080 -9.061 -3.967 1.00 0.00 S ATOM 323 CE MET A 20 -4.555 -9.865 -4.568 1.00 0.00 C ATOM 0 H MET A 20 0.769 -9.939 -0.368 1.00 0.00 H new ATOM 0 HA MET A 20 -2.138 -10.454 -0.644 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.018 -8.908 -2.405 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.094 -10.310 -2.905 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.851 -11.105 -4.107 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.887 -11.073 -2.694 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.889 -9.375 -5.483 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.339 -10.913 -4.775 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.339 -9.798 -3.814 1.00 0.00 H new ATOM 333 N LYS A 21 -1.798 -12.866 -1.235 1.00 0.00 N ATOM 334 CA LYS A 21 -1.612 -14.307 -1.279 1.00 0.00 C ATOM 335 C LYS A 21 -0.618 -14.657 -2.387 1.00 0.00 C ATOM 336 O LYS A 21 -0.851 -14.349 -3.554 1.00 0.00 O ATOM 337 CB LYS A 21 -2.962 -15.017 -1.416 1.00 0.00 C ATOM 338 CG LYS A 21 -3.639 -15.175 -0.053 1.00 0.00 C ATOM 339 CD LYS A 21 -3.424 -16.583 0.506 1.00 0.00 C ATOM 340 CE LYS A 21 -4.626 -17.481 0.207 1.00 0.00 C ATOM 341 NZ LYS A 21 -5.051 -18.203 1.428 1.00 0.00 N ATOM 0 H LYS A 21 -2.762 -12.556 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.183 -14.664 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.610 -14.449 -2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.817 -15.997 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.239 -14.438 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.707 -14.977 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.524 -17.017 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.264 -16.530 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.452 -16.879 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.368 -18.196 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.868 -18.808 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.267 -18.793 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.317 -17.516 2.162 1.00 0.00 H new ATOM 355 N GLY A 22 0.470 -15.297 -1.982 1.00 0.00 N ATOM 356 CA GLY A 22 1.501 -15.691 -2.927 1.00 0.00 C ATOM 357 C GLY A 22 2.579 -14.612 -3.043 1.00 0.00 C ATOM 358 O GLY A 22 3.694 -14.888 -3.486 1.00 0.00 O ATOM 0 H GLY A 22 0.659 -15.552 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.954 -16.629 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.054 -15.870 -3.905 1.00 0.00 H new ATOM 362 N TYR A 23 2.212 -13.406 -2.637 1.00 0.00 N ATOM 363 CA TYR A 23 3.135 -12.285 -2.691 1.00 0.00 C ATOM 364 C TYR A 23 3.420 -11.742 -1.289 1.00 0.00 C ATOM 365 O TYR A 23 2.500 -11.543 -0.497 1.00 0.00 O ATOM 366 CB TYR A 23 2.434 -11.200 -3.512 1.00 0.00 C ATOM 367 CG TYR A 23 3.386 -10.327 -4.331 1.00 0.00 C ATOM 368 CD1 TYR A 23 4.457 -10.901 -4.987 1.00 0.00 C ATOM 369 CD2 TYR A 23 3.176 -8.966 -4.414 1.00 0.00 C ATOM 370 CE1 TYR A 23 5.353 -10.078 -5.757 1.00 0.00 C ATOM 371 CE2 TYR A 23 4.072 -8.144 -5.184 1.00 0.00 C ATOM 372 CZ TYR A 23 5.117 -8.741 -5.818 1.00 0.00 C ATOM 373 OH TYR A 23 5.964 -7.964 -6.546 1.00 0.00 O ATOM 0 H TYR A 23 1.288 -13.180 -2.269 1.00 0.00 H new ATOM 0 HA TYR A 23 4.085 -12.591 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.721 -11.673 -4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.861 -10.562 -2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.622 -11.966 -4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.339 -8.517 -3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.195 -10.514 -6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.918 -7.077 -5.257 1.00 0.00 H new ATOM 0 HH TYR A 23 6.546 -7.459 -5.941 1.00 0.00 H new ATOM 383 N PRO A 24 4.732 -11.512 -1.018 1.00 0.00 N ATOM 384 CA PRO A 24 5.150 -10.996 0.275 1.00 0.00 C ATOM 385 C PRO A 24 4.827 -9.506 0.400 1.00 0.00 C ATOM 386 O PRO A 24 4.391 -8.878 -0.562 1.00 0.00 O ATOM 387 CB PRO A 24 6.640 -11.290 0.352 1.00 0.00 C ATOM 388 CG PRO A 24 7.092 -11.536 -1.078 1.00 0.00 C ATOM 389 CD PRO A 24 5.849 -11.735 -1.930 1.00 0.00 C ATOM 0 HA PRO A 24 4.622 -11.463 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.181 -10.453 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.834 -12.161 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.676 -10.692 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.735 -12.414 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.825 -11.034 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.818 -12.738 -2.356 1.00 0.00 H new ATOM 397 N HIS A 25 5.053 -8.983 1.597 1.00 0.00 N ATOM 398 CA HIS A 25 4.792 -7.578 1.861 1.00 0.00 C ATOM 399 C HIS A 25 5.216 -6.742 0.653 1.00 0.00 C ATOM 400 O HIS A 25 6.338 -6.872 0.166 1.00 0.00 O ATOM 401 CB HIS A 25 5.471 -7.134 3.158 1.00 0.00 C ATOM 402 CG HIS A 25 4.508 -6.702 4.238 1.00 0.00 C ATOM 403 ND1 HIS A 25 4.540 -7.219 5.521 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.489 -5.795 4.213 1.00 0.00 C ATOM 405 CE1 HIS A 25 3.577 -6.643 6.228 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.927 -5.762 5.415 1.00 0.00 N ATOM 0 H HIS A 25 5.414 -9.507 2.394 1.00 0.00 H new ATOM 0 HA HIS A 25 3.723 -7.424 2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 25 6.081 -7.954 3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.148 -6.309 2.938 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.193 -7.923 5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.190 -5.204 3.360 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.348 -6.838 7.265 1.00 0.00 H new ATOM 414 N TRP A 26 4.297 -5.898 0.205 1.00 0.00 N ATOM 415 CA TRP A 26 4.561 -5.040 -0.936 1.00 0.00 C ATOM 416 C TRP A 26 3.994 -3.652 -0.627 1.00 0.00 C ATOM 417 O TRP A 26 3.042 -3.526 0.141 1.00 0.00 O ATOM 418 CB TRP A 26 3.993 -5.646 -2.221 1.00 0.00 C ATOM 419 CG TRP A 26 4.994 -5.708 -3.377 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.037 -4.941 -4.474 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.103 -6.623 -3.504 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.087 -5.293 -5.296 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.757 -6.347 -4.688 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.541 -7.648 -2.647 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.885 -7.053 -5.122 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.669 -8.343 -3.095 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.339 -8.078 -4.284 1.00 0.00 C ATOM 0 H TRP A 26 3.368 -5.791 0.613 1.00 0.00 H new ATOM 0 HA TRP A 26 5.633 -4.947 -1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.637 -6.654 -2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.128 -5.062 -2.534 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.337 -4.147 -4.688 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.328 -4.859 -6.187 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.045 -7.880 -1.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.379 -6.819 -6.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.046 -9.142 -2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.206 -8.660 -4.560 1.00 0.00 H new ATOM 438 N PRO A 27 4.618 -2.623 -1.257 1.00 0.00 N ATOM 439 CA PRO A 27 4.186 -1.250 -1.057 1.00 0.00 C ATOM 440 C PRO A 27 2.885 -0.969 -1.813 1.00 0.00 C ATOM 441 O PRO A 27 2.895 -0.800 -3.031 1.00 0.00 O ATOM 442 CB PRO A 27 5.348 -0.397 -1.538 1.00 0.00 C ATOM 443 CG PRO A 27 6.196 -1.304 -2.415 1.00 0.00 C ATOM 444 CD PRO A 27 5.749 -2.737 -2.174 1.00 0.00 C ATOM 0 HA PRO A 27 3.953 -1.030 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.992 0.467 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.926 -0.015 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.077 -1.039 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.253 -1.188 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.457 -3.223 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.551 -3.335 -1.741 1.00 0.00 H new ATOM 452 N ALA A 28 1.796 -0.929 -1.059 1.00 0.00 N ATOM 453 CA ALA A 28 0.491 -0.672 -1.641 1.00 0.00 C ATOM 454 C ALA A 28 -0.170 0.495 -0.906 1.00 0.00 C ATOM 455 O ALA A 28 -0.014 0.638 0.306 1.00 0.00 O ATOM 456 CB ALA A 28 -0.353 -1.947 -1.589 1.00 0.00 C ATOM 0 H ALA A 28 1.792 -1.071 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 28 0.588 -0.389 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.332 -1.753 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.145 -2.736 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.474 -2.261 -0.552 1.00 0.00 H new ATOM 462 N ARG A 29 -0.894 1.301 -1.669 1.00 0.00 N ATOM 463 CA ARG A 29 -1.580 2.450 -1.105 1.00 0.00 C ATOM 464 C ARG A 29 -3.005 2.070 -0.696 1.00 0.00 C ATOM 465 O ARG A 29 -3.545 1.072 -1.169 1.00 0.00 O ATOM 466 CB ARG A 29 -1.636 3.605 -2.107 1.00 0.00 C ATOM 467 CG ARG A 29 -1.993 4.919 -1.410 1.00 0.00 C ATOM 468 CD ARG A 29 -1.211 6.090 -2.012 1.00 0.00 C ATOM 469 NE ARG A 29 -1.962 6.667 -3.148 1.00 0.00 N ATOM 470 CZ ARG A 29 -1.482 7.622 -3.957 1.00 0.00 C ATOM 471 NH1 ARG A 29 -0.250 8.110 -3.760 1.00 0.00 N ATOM 472 NH2 ARG A 29 -2.235 8.088 -4.965 1.00 0.00 N ATOM 0 H ARG A 29 -1.020 1.180 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.020 2.772 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.672 3.704 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.374 3.386 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.063 5.105 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.775 4.841 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.040 6.853 -1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.231 5.750 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.903 6.317 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.323 7.755 -2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.115 8.837 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.173 7.716 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.870 8.815 -5.581 1.00 0.00 H new ATOM 486 N ILE A 30 -3.573 2.888 0.180 1.00 0.00 N ATOM 487 CA ILE A 30 -4.924 2.650 0.658 1.00 0.00 C ATOM 488 C ILE A 30 -5.919 3.355 -0.266 1.00 0.00 C ATOM 489 O ILE A 30 -5.640 4.442 -0.772 1.00 0.00 O ATOM 490 CB ILE A 30 -5.053 3.060 2.126 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.896 2.049 2.906 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.599 4.482 2.252 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.328 2.001 2.367 1.00 0.00 C ATOM 0 H ILE A 30 -3.122 3.715 0.570 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.157 1.586 0.626 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.058 3.058 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.443 1.060 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.909 2.318 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.681 4.748 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.923 5.177 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.583 4.536 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.907 1.275 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.786 2.986 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.312 1.708 1.317 1.00 0.00 H new ATOM 505 N ASP A 31 -7.059 2.709 -0.460 1.00 0.00 N ATOM 506 CA ASP A 31 -8.096 3.260 -1.315 1.00 0.00 C ATOM 507 C ASP A 31 -9.453 2.690 -0.895 1.00 0.00 C ATOM 508 O ASP A 31 -9.542 1.538 -0.471 1.00 0.00 O ATOM 509 CB ASP A 31 -7.860 2.887 -2.779 1.00 0.00 C ATOM 510 CG ASP A 31 -6.900 3.808 -3.533 1.00 0.00 C ATOM 511 OD1 ASP A 31 -7.157 5.032 -3.518 1.00 0.00 O ATOM 512 OD2 ASP A 31 -5.932 3.269 -4.110 1.00 0.00 O ATOM 0 H ASP A 31 -7.287 1.808 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.076 4.345 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.472 1.869 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.819 2.884 -3.297 1.00 0.00 H new ATOM 517 N GLU A 32 -10.476 3.521 -1.025 1.00 0.00 N ATOM 518 CA GLU A 32 -11.823 3.115 -0.666 1.00 0.00 C ATOM 519 C GLU A 32 -12.588 2.650 -1.906 1.00 0.00 C ATOM 520 O GLU A 32 -12.110 2.810 -3.029 1.00 0.00 O ATOM 521 CB GLU A 32 -12.567 4.249 0.044 1.00 0.00 C ATOM 522 CG GLU A 32 -12.810 5.424 -0.907 1.00 0.00 C ATOM 523 CD GLU A 32 -14.150 6.100 -0.611 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.158 5.639 -1.190 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.137 7.062 0.187 1.00 0.00 O ATOM 0 H GLU A 32 -10.398 4.476 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.755 2.278 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.520 3.881 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.989 4.586 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.003 6.150 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.797 5.071 -1.938 1.00 0.00 H new ATOM 532 N MET A 33 -13.759 2.084 -1.662 1.00 0.00 N ATOM 533 CA MET A 33 -14.593 1.594 -2.745 1.00 0.00 C ATOM 534 C MET A 33 -15.248 2.752 -3.502 1.00 0.00 C ATOM 535 O MET A 33 -16.079 3.471 -2.947 1.00 0.00 O ATOM 536 CB MET A 33 -15.680 0.676 -2.180 1.00 0.00 C ATOM 537 CG MET A 33 -16.483 1.385 -1.089 1.00 0.00 C ATOM 538 SD MET A 33 -16.520 0.387 0.391 1.00 0.00 S ATOM 539 CE MET A 33 -18.154 0.782 0.991 1.00 0.00 C ATOM 0 H MET A 33 -14.151 1.953 -0.729 1.00 0.00 H new ATOM 0 HA MET A 33 -13.962 1.040 -3.440 1.00 0.00 H new ATOM 0 HB2 MET A 33 -16.348 0.361 -2.982 1.00 0.00 H new ATOM 0 HB3 MET A 33 -15.224 -0.226 -1.773 1.00 0.00 H new ATOM 0 HG2 MET A 33 -16.038 2.356 -0.871 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.499 1.571 -1.437 1.00 0.00 H new ATOM 0 HE1 MET A 33 -18.343 0.239 1.917 1.00 0.00 H new ATOM 0 HE2 MET A 33 -18.224 1.854 1.178 1.00 0.00 H new ATOM 0 HE3 MET A 33 -18.895 0.495 0.245 1.00 0.00 H new ATOM 549 N PRO A 34 -14.839 2.902 -4.789 1.00 0.00 N ATOM 550 CA PRO A 34 -15.375 3.962 -5.627 1.00 0.00 C ATOM 551 C PRO A 34 -16.798 3.633 -6.081 1.00 0.00 C ATOM 552 O PRO A 34 -17.275 2.517 -5.884 1.00 0.00 O ATOM 553 CB PRO A 34 -14.395 4.085 -6.783 1.00 0.00 C ATOM 554 CG PRO A 34 -13.604 2.787 -6.796 1.00 0.00 C ATOM 555 CD PRO A 34 -13.857 2.072 -5.480 1.00 0.00 C ATOM 0 HA PRO A 34 -15.466 4.911 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.920 4.232 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.736 4.943 -6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.911 2.162 -7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.540 2.990 -6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.237 1.063 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.940 1.977 -4.899 1.00 0.00 H new ATOM 563 N GLU A 35 -17.437 4.627 -6.683 1.00 0.00 N ATOM 564 CA GLU A 35 -18.796 4.456 -7.167 1.00 0.00 C ATOM 565 C GLU A 35 -19.025 5.309 -8.417 1.00 0.00 C ATOM 566 O GLU A 35 -20.120 5.828 -8.628 1.00 0.00 O ATOM 567 CB GLU A 35 -19.814 4.798 -6.078 1.00 0.00 C ATOM 568 CG GLU A 35 -19.771 6.288 -5.736 1.00 0.00 C ATOM 569 CD GLU A 35 -20.336 6.546 -4.337 1.00 0.00 C ATOM 570 OE1 GLU A 35 -21.575 6.670 -4.238 1.00 0.00 O ATOM 571 OE2 GLU A 35 -19.514 6.612 -3.397 1.00 0.00 O ATOM 0 H GLU A 35 -17.039 5.552 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 35 -18.936 3.408 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.815 4.527 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.607 4.210 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.743 6.647 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.344 6.851 -6.473 1.00 0.00 H new ATOM 578 N ALA A 36 -17.973 5.429 -9.214 1.00 0.00 N ATOM 579 CA ALA A 36 -18.045 6.209 -10.436 1.00 0.00 C ATOM 580 C ALA A 36 -18.857 5.440 -11.481 1.00 0.00 C ATOM 581 O ALA A 36 -20.065 5.636 -11.598 1.00 0.00 O ATOM 582 CB ALA A 36 -16.629 6.531 -10.921 1.00 0.00 C ATOM 0 H ALA A 36 -17.066 4.998 -9.036 1.00 0.00 H new ATOM 0 HA ALA A 36 -18.552 7.157 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.683 7.117 -11.839 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.104 7.103 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.091 5.603 -11.114 1.00 0.00 H new ATOM 588 N ALA A 37 -18.159 4.583 -12.213 1.00 0.00 N ATOM 589 CA ALA A 37 -18.802 3.784 -13.243 1.00 0.00 C ATOM 590 C ALA A 37 -18.984 2.353 -12.733 1.00 0.00 C ATOM 591 O ALA A 37 -19.254 1.442 -13.513 1.00 0.00 O ATOM 592 CB ALA A 37 -17.972 3.846 -14.526 1.00 0.00 C ATOM 0 H ALA A 37 -17.156 4.425 -12.113 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.791 4.178 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.453 3.247 -15.300 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.898 4.880 -14.862 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.973 3.455 -14.333 1.00 0.00 H new ATOM 598 N VAL A 38 -18.828 2.200 -11.426 1.00 0.00 N ATOM 599 CA VAL A 38 -18.972 0.897 -10.802 1.00 0.00 C ATOM 600 C VAL A 38 -19.630 1.060 -9.431 1.00 0.00 C ATOM 601 O VAL A 38 -19.909 2.179 -9.002 1.00 0.00 O ATOM 602 CB VAL A 38 -17.613 0.198 -10.733 1.00 0.00 C ATOM 603 CG1 VAL A 38 -16.744 0.797 -9.625 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.781 -1.312 -10.541 1.00 0.00 C ATOM 0 H VAL A 38 -18.603 2.958 -10.782 1.00 0.00 H new ATOM 0 HA VAL A 38 -19.623 0.258 -11.399 1.00 0.00 H new ATOM 0 HB VAL A 38 -17.105 0.361 -11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.784 0.282 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.582 1.857 -9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.246 0.679 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.800 -1.784 -10.495 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -18.319 -1.503 -9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -18.344 -1.725 -11.378 1.00 0.00 H new ATOM 614 N LYS A 39 -19.862 -0.071 -8.782 1.00 0.00 N ATOM 615 CA LYS A 39 -20.481 -0.067 -7.468 1.00 0.00 C ATOM 616 C LYS A 39 -19.443 -0.458 -6.416 1.00 0.00 C ATOM 617 O LYS A 39 -18.273 -0.659 -6.739 1.00 0.00 O ATOM 618 CB LYS A 39 -21.728 -0.954 -7.461 1.00 0.00 C ATOM 619 CG LYS A 39 -22.699 -0.544 -8.570 1.00 0.00 C ATOM 620 CD LYS A 39 -22.371 -1.261 -9.881 1.00 0.00 C ATOM 621 CE LYS A 39 -22.321 -2.777 -9.680 1.00 0.00 C ATOM 622 NZ LYS A 39 -22.846 -3.477 -10.873 1.00 0.00 N ATOM 0 H LYS A 39 -19.632 -0.997 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 39 -20.828 0.935 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -21.438 -1.996 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -22.224 -0.882 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -23.720 -0.779 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.651 0.535 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -23.122 -1.015 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -21.412 -0.909 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -21.295 -3.091 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.906 -3.053 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.804 -4.505 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.832 -3.191 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -22.271 -3.228 -11.703 1.00 0.00 H new ATOM 636 N SER A 40 -19.907 -0.556 -5.180 1.00 0.00 N ATOM 637 CA SER A 40 -19.032 -0.921 -4.078 1.00 0.00 C ATOM 638 C SER A 40 -19.583 -2.153 -3.358 1.00 0.00 C ATOM 639 O SER A 40 -20.743 -2.517 -3.540 1.00 0.00 O ATOM 640 CB SER A 40 -18.871 0.241 -3.095 1.00 0.00 C ATOM 641 OG SER A 40 -20.128 0.714 -2.618 1.00 0.00 O ATOM 0 H SER A 40 -20.878 -0.389 -4.916 1.00 0.00 H new ATOM 0 HA SER A 40 -18.049 -1.156 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.260 -0.080 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.338 1.057 -3.582 1.00 0.00 H new ATOM 0 HG SER A 40 -19.983 1.454 -1.992 1.00 0.00 H new ATOM 647 N THR A 41 -18.723 -2.764 -2.555 1.00 0.00 N ATOM 648 CA THR A 41 -19.108 -3.947 -1.807 1.00 0.00 C ATOM 649 C THR A 41 -19.017 -3.682 -0.303 1.00 0.00 C ATOM 650 O THR A 41 -18.551 -2.624 0.117 1.00 0.00 O ATOM 651 CB THR A 41 -18.229 -5.110 -2.274 1.00 0.00 C ATOM 652 OG1 THR A 41 -18.508 -5.219 -3.666 1.00 0.00 O ATOM 653 CG2 THR A 41 -18.678 -6.453 -1.697 1.00 0.00 C ATOM 0 H THR A 41 -17.760 -2.461 -2.407 1.00 0.00 H new ATOM 0 HA THR A 41 -20.149 -4.211 -1.995 1.00 0.00 H new ATOM 0 HB THR A 41 -17.195 -4.920 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.978 -5.949 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.021 -7.243 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.633 -6.415 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.701 -6.660 -2.010 1.00 0.00 H new ATOM 661 N ALA A 42 -19.470 -4.660 0.466 1.00 0.00 N ATOM 662 CA ALA A 42 -19.446 -4.545 1.916 1.00 0.00 C ATOM 663 C ALA A 42 -18.246 -5.322 2.464 1.00 0.00 C ATOM 664 O ALA A 42 -17.722 -6.213 1.798 1.00 0.00 O ATOM 665 CB ALA A 42 -20.774 -5.040 2.490 1.00 0.00 C ATOM 0 H ALA A 42 -19.856 -5.536 0.114 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.330 -3.504 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.756 -4.954 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.590 -4.437 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.925 -6.083 2.211 1.00 0.00 H new ATOM 671 N ASN A 43 -17.847 -4.954 3.673 1.00 0.00 N ATOM 672 CA ASN A 43 -16.721 -5.605 4.319 1.00 0.00 C ATOM 673 C ASN A 43 -15.621 -5.857 3.285 1.00 0.00 C ATOM 674 O ASN A 43 -15.395 -6.995 2.879 1.00 0.00 O ATOM 675 CB ASN A 43 -17.130 -6.955 4.911 1.00 0.00 C ATOM 676 CG ASN A 43 -17.782 -7.844 3.850 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.137 -8.637 3.184 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.095 -7.669 3.731 1.00 0.00 N ATOM 0 H ASN A 43 -18.284 -4.213 4.222 1.00 0.00 H new ATOM 0 HA ASN A 43 -16.368 -4.953 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -16.254 -7.456 5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.824 -6.799 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.623 -8.216 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.574 -6.988 4.320 1.00 0.00 H new ATOM 685 N LYS A 44 -14.966 -4.775 2.890 1.00 0.00 N ATOM 686 CA LYS A 44 -13.896 -4.864 1.911 1.00 0.00 C ATOM 687 C LYS A 44 -13.252 -3.486 1.738 1.00 0.00 C ATOM 688 O LYS A 44 -13.932 -2.465 1.816 1.00 0.00 O ATOM 689 CB LYS A 44 -14.414 -5.467 0.603 1.00 0.00 C ATOM 690 CG LYS A 44 -15.194 -4.430 -0.208 1.00 0.00 C ATOM 691 CD LYS A 44 -14.612 -4.284 -1.615 1.00 0.00 C ATOM 692 CE LYS A 44 -13.533 -3.199 -1.651 1.00 0.00 C ATOM 693 NZ LYS A 44 -12.865 -3.176 -2.972 1.00 0.00 N ATOM 0 H LYS A 44 -15.156 -3.832 3.230 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.116 -5.540 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.576 -5.840 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.055 -6.321 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.241 -4.726 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.166 -3.467 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.188 -5.235 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.407 -4.035 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.980 -2.226 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.797 -3.383 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.136 -2.434 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.422 -4.099 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.568 -2.978 -3.713 1.00 0.00 H new ATOM 707 N TYR A 45 -11.946 -3.504 1.509 1.00 0.00 N ATOM 708 CA TYR A 45 -11.203 -2.269 1.327 1.00 0.00 C ATOM 709 C TYR A 45 -10.409 -2.294 0.019 1.00 0.00 C ATOM 710 O TYR A 45 -10.027 -3.363 -0.457 1.00 0.00 O ATOM 711 CB TYR A 45 -10.226 -2.186 2.501 1.00 0.00 C ATOM 712 CG TYR A 45 -10.413 -0.948 3.380 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.679 -0.442 3.599 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.317 -0.338 3.956 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.855 0.723 4.428 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.493 0.826 4.783 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.753 1.299 4.979 1.00 0.00 C ATOM 718 OH TYR A 45 -10.920 2.400 5.760 1.00 0.00 O ATOM 0 H TYR A 45 -11.385 -4.353 1.446 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.881 -1.417 1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.339 -3.077 3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.207 -2.193 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.537 -0.919 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.327 -0.735 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.839 1.130 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.643 1.313 5.238 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.048 2.704 6.087 1.00 0.00 H new ATOM 728 N GLN A 46 -10.183 -1.108 -0.523 1.00 0.00 N ATOM 729 CA GLN A 46 -9.442 -0.981 -1.766 1.00 0.00 C ATOM 730 C GLN A 46 -7.952 -0.786 -1.478 1.00 0.00 C ATOM 731 O GLN A 46 -7.577 0.081 -0.689 1.00 0.00 O ATOM 732 CB GLN A 46 -9.989 0.165 -2.618 1.00 0.00 C ATOM 733 CG GLN A 46 -10.191 -0.277 -4.069 1.00 0.00 C ATOM 734 CD GLN A 46 -8.971 0.074 -4.923 1.00 0.00 C ATOM 735 OE1 GLN A 46 -8.127 -0.756 -5.216 1.00 0.00 O ATOM 736 NE2 GLN A 46 -8.927 1.347 -5.304 1.00 0.00 N ATOM 0 H GLN A 46 -10.500 -0.225 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.566 -1.903 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.936 0.510 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.300 1.009 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.367 -1.352 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.078 0.205 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.668 1.989 -5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.152 1.681 -5.877 1.00 0.00 H new ATOM 745 N VAL A 47 -7.142 -1.606 -2.131 1.00 0.00 N ATOM 746 CA VAL A 47 -5.702 -1.535 -1.954 1.00 0.00 C ATOM 747 C VAL A 47 -5.026 -1.478 -3.326 1.00 0.00 C ATOM 748 O VAL A 47 -5.161 -2.401 -4.128 1.00 0.00 O ATOM 749 CB VAL A 47 -5.220 -2.708 -1.099 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.935 -3.312 -1.670 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.025 -2.283 0.356 1.00 0.00 C ATOM 0 H VAL A 47 -7.456 -2.324 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.428 -0.626 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.992 -3.478 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.614 -4.144 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.120 -3.671 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.154 -2.552 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.682 -3.136 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.282 -1.487 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.971 -1.923 0.760 1.00 0.00 H new ATOM 761 N PHE A 48 -4.315 -0.384 -3.554 1.00 0.00 N ATOM 762 CA PHE A 48 -3.617 -0.194 -4.815 1.00 0.00 C ATOM 763 C PHE A 48 -2.146 -0.596 -4.695 1.00 0.00 C ATOM 764 O PHE A 48 -1.368 0.077 -4.020 1.00 0.00 O ATOM 765 CB PHE A 48 -3.701 1.296 -5.152 1.00 0.00 C ATOM 766 CG PHE A 48 -3.297 1.632 -6.589 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.660 0.808 -7.609 1.00 0.00 C ATOM 768 CD2 PHE A 48 -2.575 2.756 -6.847 1.00 0.00 C ATOM 769 CE1 PHE A 48 -3.285 1.120 -8.942 1.00 0.00 C ATOM 770 CE2 PHE A 48 -2.200 3.069 -8.181 1.00 0.00 C ATOM 771 CZ PHE A 48 -2.562 2.244 -9.200 1.00 0.00 C ATOM 0 H PHE A 48 -4.207 0.380 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.072 -0.813 -5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.721 1.640 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.060 1.850 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.234 -0.084 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.287 3.410 -6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.573 0.466 -9.751 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.628 3.962 -8.386 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.276 2.481 -10.214 1.00 0.00 H new ATOM 781 N PHE A 49 -1.809 -1.690 -5.359 1.00 0.00 N ATOM 782 CA PHE A 49 -0.444 -2.190 -5.335 1.00 0.00 C ATOM 783 C PHE A 49 0.420 -1.473 -6.374 1.00 0.00 C ATOM 784 O PHE A 49 0.128 -1.518 -7.567 1.00 0.00 O ATOM 785 CB PHE A 49 -0.508 -3.680 -5.682 1.00 0.00 C ATOM 786 CG PHE A 49 -0.399 -4.606 -4.469 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.412 -4.661 -3.563 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.710 -5.375 -4.297 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.311 -5.521 -2.438 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.811 -6.234 -3.171 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.203 -6.289 -2.265 1.00 0.00 C ATOM 0 H PHE A 49 -2.457 -2.245 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.002 -2.019 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.447 -3.883 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.296 -3.915 -6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.293 -4.051 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.514 -5.332 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.115 -5.565 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.692 -6.843 -3.034 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.127 -6.943 -1.409 1.00 0.00 H new ATOM 801 N PHE A 50 1.467 -0.828 -5.881 1.00 0.00 N ATOM 802 CA PHE A 50 2.377 -0.103 -6.751 1.00 0.00 C ATOM 803 C PHE A 50 3.343 -1.058 -7.455 1.00 0.00 C ATOM 804 O PHE A 50 3.765 -0.801 -8.582 1.00 0.00 O ATOM 805 CB PHE A 50 3.180 0.853 -5.864 1.00 0.00 C ATOM 806 CG PHE A 50 2.544 2.235 -5.705 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.457 3.071 -6.776 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.067 2.630 -4.495 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.870 4.354 -6.628 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.478 3.913 -4.347 1.00 0.00 C ATOM 811 CZ PHE A 50 1.392 4.750 -5.418 1.00 0.00 C ATOM 0 H PHE A 50 1.705 -0.792 -4.890 1.00 0.00 H new ATOM 0 HA PHE A 50 1.812 0.429 -7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.300 0.404 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.179 0.970 -6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.835 2.758 -7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.136 1.967 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.803 5.017 -7.478 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.098 4.225 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.945 5.727 -5.306 1.00 0.00 H new ATOM 821 N GLY A 51 3.664 -2.140 -6.762 1.00 0.00 N ATOM 822 CA GLY A 51 4.572 -3.136 -7.307 1.00 0.00 C ATOM 823 C GLY A 51 4.053 -3.679 -8.639 1.00 0.00 C ATOM 824 O GLY A 51 4.746 -3.606 -9.654 1.00 0.00 O ATOM 0 H GLY A 51 3.312 -2.349 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.559 -2.695 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.688 -3.955 -6.597 1.00 0.00 H new ATOM 828 N THR A 52 2.841 -4.210 -8.594 1.00 0.00 N ATOM 829 CA THR A 52 2.223 -4.766 -9.786 1.00 0.00 C ATOM 830 C THR A 52 1.579 -3.656 -10.620 1.00 0.00 C ATOM 831 O THR A 52 1.329 -3.835 -11.810 1.00 0.00 O ATOM 832 CB THR A 52 1.233 -5.846 -9.346 1.00 0.00 C ATOM 833 OG1 THR A 52 0.644 -5.317 -8.160 1.00 0.00 O ATOM 834 CG2 THR A 52 1.932 -7.124 -8.875 1.00 0.00 C ATOM 0 H THR A 52 2.270 -4.267 -7.751 1.00 0.00 H new ATOM 0 HA THR A 52 2.965 -5.230 -10.436 1.00 0.00 H new ATOM 0 HB THR A 52 0.563 -6.081 -10.173 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.013 -5.954 -7.809 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.184 -7.858 -8.574 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.533 -7.531 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.577 -6.894 -8.027 1.00 0.00 H new ATOM 842 N HIS A 53 1.330 -2.534 -9.960 1.00 0.00 N ATOM 843 CA HIS A 53 0.719 -1.395 -10.626 1.00 0.00 C ATOM 844 C HIS A 53 -0.743 -1.710 -10.945 1.00 0.00 C ATOM 845 O HIS A 53 -1.248 -1.330 -12.001 1.00 0.00 O ATOM 846 CB HIS A 53 1.524 -0.994 -11.864 1.00 0.00 C ATOM 847 CG HIS A 53 1.610 0.497 -12.084 1.00 0.00 C ATOM 848 ND1 HIS A 53 2.151 1.363 -11.149 1.00 0.00 N ATOM 849 CD2 HIS A 53 1.220 1.265 -13.141 1.00 0.00 C ATOM 850 CE1 HIS A 53 2.082 2.596 -11.632 1.00 0.00 C ATOM 851 NE2 HIS A 53 1.505 2.533 -12.866 1.00 0.00 N ATOM 0 H HIS A 53 1.540 -2.389 -8.972 1.00 0.00 H new ATOM 0 HA HIS A 53 0.731 -0.531 -9.961 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.533 -1.397 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.073 -1.455 -12.743 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.758 0.904 -14.048 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.423 3.492 -11.135 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.322 3.329 -13.477 1.00 0.00 H new ATOM 859 N GLU A 54 -1.384 -2.402 -10.014 1.00 0.00 N ATOM 860 CA GLU A 54 -2.779 -2.773 -10.184 1.00 0.00 C ATOM 861 C GLU A 54 -3.531 -2.624 -8.860 1.00 0.00 C ATOM 862 O GLU A 54 -2.917 -2.544 -7.798 1.00 0.00 O ATOM 863 CB GLU A 54 -2.904 -4.196 -10.730 1.00 0.00 C ATOM 864 CG GLU A 54 -2.421 -5.223 -9.704 1.00 0.00 C ATOM 865 CD GLU A 54 -2.990 -6.611 -10.007 1.00 0.00 C ATOM 866 OE1 GLU A 54 -2.529 -7.208 -11.003 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.872 -7.042 -9.235 1.00 0.00 O ATOM 0 H GLU A 54 -0.963 -2.715 -9.139 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.230 -2.099 -10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.943 -4.399 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.321 -4.290 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.332 -5.263 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.723 -4.913 -8.704 1.00 0.00 H new ATOM 874 N THR A 55 -4.852 -2.594 -8.967 1.00 0.00 N ATOM 875 CA THR A 55 -5.694 -2.457 -7.791 1.00 0.00 C ATOM 876 C THR A 55 -6.174 -3.830 -7.318 1.00 0.00 C ATOM 877 O THR A 55 -6.842 -4.549 -8.059 1.00 0.00 O ATOM 878 CB THR A 55 -6.837 -1.500 -8.138 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.508 -0.299 -7.446 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.170 -1.931 -7.523 1.00 0.00 C ATOM 0 H THR A 55 -5.359 -2.662 -9.849 1.00 0.00 H new ATOM 0 HA THR A 55 -5.140 -2.034 -6.953 1.00 0.00 H new ATOM 0 HB THR A 55 -6.940 -1.438 -9.221 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.998 -0.266 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.946 -1.218 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.438 -2.921 -7.892 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.077 -1.962 -6.437 1.00 0.00 H new ATOM 888 N ALA A 56 -5.817 -4.151 -6.083 1.00 0.00 N ATOM 889 CA ALA A 56 -6.202 -5.425 -5.500 1.00 0.00 C ATOM 890 C ALA A 56 -7.071 -5.174 -4.265 1.00 0.00 C ATOM 891 O ALA A 56 -6.748 -4.324 -3.436 1.00 0.00 O ATOM 892 CB ALA A 56 -4.948 -6.239 -5.175 1.00 0.00 C ATOM 0 H ALA A 56 -5.265 -3.551 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.793 -6.007 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.238 -7.194 -4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.382 -6.415 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.330 -5.688 -4.466 1.00 0.00 H new ATOM 898 N PHE A 57 -8.157 -5.929 -4.181 1.00 0.00 N ATOM 899 CA PHE A 57 -9.074 -5.799 -3.061 1.00 0.00 C ATOM 900 C PHE A 57 -8.519 -6.492 -1.815 1.00 0.00 C ATOM 901 O PHE A 57 -8.399 -7.714 -1.782 1.00 0.00 O ATOM 902 CB PHE A 57 -10.380 -6.484 -3.471 1.00 0.00 C ATOM 903 CG PHE A 57 -10.244 -7.988 -3.713 1.00 0.00 C ATOM 904 CD1 PHE A 57 -9.899 -8.451 -4.944 1.00 0.00 C ATOM 905 CD2 PHE A 57 -10.471 -8.862 -2.696 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.774 -9.847 -5.168 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.345 -10.259 -2.920 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.000 -10.721 -4.152 1.00 0.00 C ATOM 0 H PHE A 57 -8.422 -6.633 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.223 -4.746 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.125 -6.317 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.756 -6.013 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.720 -7.756 -5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.747 -8.494 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.499 -10.215 -6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.523 -10.954 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.906 -11.783 -4.323 1.00 0.00 H new ATOM 918 N LEU A 58 -8.193 -5.677 -0.821 1.00 0.00 N ATOM 919 CA LEU A 58 -7.654 -6.196 0.425 1.00 0.00 C ATOM 920 C LEU A 58 -8.376 -5.539 1.602 1.00 0.00 C ATOM 921 O LEU A 58 -9.232 -4.677 1.406 1.00 0.00 O ATOM 922 CB LEU A 58 -6.134 -6.027 0.463 1.00 0.00 C ATOM 923 CG LEU A 58 -5.329 -6.987 -0.415 1.00 0.00 C ATOM 924 CD1 LEU A 58 -3.832 -6.869 -0.128 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.831 -8.424 -0.258 1.00 0.00 C ATOM 0 H LEU A 58 -8.292 -4.662 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.834 -7.268 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.895 -5.006 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.801 -6.144 1.494 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.480 -6.704 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.284 -7.562 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.502 -5.850 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.642 -7.110 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.242 -9.086 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.730 -8.733 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.879 -8.477 -0.552 1.00 0.00 H new ATOM 937 N GLY A 59 -8.005 -5.969 2.799 1.00 0.00 N ATOM 938 CA GLY A 59 -8.607 -5.432 4.007 1.00 0.00 C ATOM 939 C GLY A 59 -7.555 -4.755 4.889 1.00 0.00 C ATOM 940 O GLY A 59 -6.511 -4.327 4.400 1.00 0.00 O ATOM 0 H GLY A 59 -7.295 -6.684 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.383 -4.713 3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.092 -6.234 4.564 1.00 0.00 H new ATOM 944 N PRO A 60 -7.875 -4.679 6.209 1.00 0.00 N ATOM 945 CA PRO A 60 -6.971 -4.061 7.163 1.00 0.00 C ATOM 946 C PRO A 60 -5.785 -4.979 7.470 1.00 0.00 C ATOM 947 O PRO A 60 -4.640 -4.531 7.504 1.00 0.00 O ATOM 948 CB PRO A 60 -7.826 -3.771 8.386 1.00 0.00 C ATOM 949 CG PRO A 60 -9.058 -4.650 8.250 1.00 0.00 C ATOM 950 CD PRO A 60 -9.102 -5.174 6.825 1.00 0.00 C ATOM 0 HA PRO A 60 -6.521 -3.145 6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.284 -3.997 9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.101 -2.717 8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.017 -5.477 8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.960 -4.081 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.144 -6.263 6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.984 -4.812 6.297 1.00 0.00 H new ATOM 958 N LYS A 61 -6.101 -6.250 7.682 1.00 0.00 N ATOM 959 CA LYS A 61 -5.078 -7.236 7.984 1.00 0.00 C ATOM 960 C LYS A 61 -4.040 -7.247 6.858 1.00 0.00 C ATOM 961 O LYS A 61 -2.839 -7.177 7.116 1.00 0.00 O ATOM 962 CB LYS A 61 -5.711 -8.601 8.249 1.00 0.00 C ATOM 963 CG LYS A 61 -6.519 -9.076 7.040 1.00 0.00 C ATOM 964 CD LYS A 61 -7.515 -10.167 7.440 1.00 0.00 C ATOM 965 CE LYS A 61 -8.887 -9.567 7.754 1.00 0.00 C ATOM 966 NZ LYS A 61 -9.472 -10.212 8.951 1.00 0.00 N ATOM 0 H LYS A 61 -7.052 -6.618 7.650 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.552 -6.972 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.932 -9.328 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.359 -8.541 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.054 -8.233 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.844 -9.458 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.608 -10.894 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.141 -10.705 8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.792 -8.494 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.552 -9.699 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.403 -9.794 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.581 -11.232 8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.844 -10.064 9.767 1.00 0.00 H new ATOM 980 N ASP A 62 -4.541 -7.335 5.635 1.00 0.00 N ATOM 981 CA ASP A 62 -3.673 -7.356 4.471 1.00 0.00 C ATOM 982 C ASP A 62 -2.763 -6.126 4.494 1.00 0.00 C ATOM 983 O ASP A 62 -1.709 -6.116 3.863 1.00 0.00 O ATOM 984 CB ASP A 62 -4.487 -7.317 3.176 1.00 0.00 C ATOM 985 CG ASP A 62 -4.920 -8.685 2.643 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.087 -9.316 1.958 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.074 -9.067 2.933 1.00 0.00 O ATOM 0 H ASP A 62 -5.538 -7.393 5.425 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.090 -8.276 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.377 -6.710 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.897 -6.815 2.409 1.00 0.00 H new ATOM 992 N LEU A 63 -3.207 -5.116 5.229 1.00 0.00 N ATOM 993 CA LEU A 63 -2.447 -3.883 5.345 1.00 0.00 C ATOM 994 C LEU A 63 -1.705 -3.869 6.682 1.00 0.00 C ATOM 995 O LEU A 63 -2.313 -4.058 7.735 1.00 0.00 O ATOM 996 CB LEU A 63 -3.356 -2.672 5.133 1.00 0.00 C ATOM 997 CG LEU A 63 -3.038 -1.799 3.916 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.519 -2.647 2.754 1.00 0.00 C ATOM 999 CD2 LEU A 63 -4.251 -0.957 3.513 1.00 0.00 C ATOM 0 H LEU A 63 -4.084 -5.127 5.750 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.691 -3.826 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.383 -3.025 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.310 -2.048 6.025 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.242 -1.107 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.301 -2.003 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.610 -3.165 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.276 -3.378 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.998 -0.346 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.084 -1.615 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.536 -0.310 4.342 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.401 -3.644 6.597 1.00 0.00 N ATOM 1012 CA PHE A 64 0.429 -3.603 7.788 1.00 0.00 C ATOM 1013 C PHE A 64 1.348 -2.379 7.774 1.00 0.00 C ATOM 1014 O PHE A 64 1.933 -2.050 6.742 1.00 0.00 O ATOM 1015 CB PHE A 64 1.286 -4.870 7.779 1.00 0.00 C ATOM 1016 CG PHE A 64 1.045 -5.791 8.978 1.00 0.00 C ATOM 1017 CD1 PHE A 64 -0.189 -6.321 9.192 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.066 -6.080 9.830 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.412 -7.176 10.303 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.844 -6.936 10.941 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.609 -7.465 11.154 1.00 0.00 C ATOM 0 H PHE A 64 0.100 -3.488 5.722 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.198 -3.542 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.087 -5.425 6.862 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.338 -4.585 7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.000 -6.091 8.516 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.046 -5.658 9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.392 -7.597 10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.655 -7.167 11.616 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.439 -8.115 12.000 1.00 0.00 H new ATOM 1031 N PRO A 65 1.451 -1.723 8.960 1.00 0.00 N ATOM 1032 CA PRO A 65 2.290 -0.543 9.092 1.00 0.00 C ATOM 1033 C PRO A 65 3.771 -0.926 9.136 1.00 0.00 C ATOM 1034 O PRO A 65 4.109 -2.108 9.178 1.00 0.00 O ATOM 1035 CB PRO A 65 1.813 0.137 10.366 1.00 0.00 C ATOM 1036 CG PRO A 65 1.047 -0.922 11.143 1.00 0.00 C ATOM 1037 CD PRO A 65 0.774 -2.084 10.202 1.00 0.00 C ATOM 0 HA PRO A 65 2.205 0.132 8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.655 0.514 10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.175 0.991 10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.625 -1.256 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.112 -0.513 11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.160 -3.020 10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.296 -2.223 10.044 1.00 0.00 H new ATOM 1045 N TYR A 66 4.613 0.096 9.128 1.00 0.00 N ATOM 1046 CA TYR A 66 6.050 -0.117 9.167 1.00 0.00 C ATOM 1047 C TYR A 66 6.502 -0.551 10.563 1.00 0.00 C ATOM 1048 O TYR A 66 7.393 -1.387 10.701 1.00 0.00 O ATOM 1049 CB TYR A 66 6.687 1.232 8.833 1.00 0.00 C ATOM 1050 CG TYR A 66 8.148 1.356 9.269 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.452 1.716 10.567 1.00 0.00 C ATOM 1052 CD2 TYR A 66 9.162 1.108 8.367 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.828 1.833 10.978 1.00 0.00 C ATOM 1054 CE2 TYR A 66 10.537 1.225 8.777 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.801 1.581 10.062 1.00 0.00 C ATOM 1056 OH TYR A 66 12.101 1.691 10.451 1.00 0.00 O ATOM 0 H TYR A 66 4.328 1.075 9.095 1.00 0.00 H new ATOM 0 HA TYR A 66 6.341 -0.900 8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.625 1.395 7.757 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.108 2.023 9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.659 1.910 11.274 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.924 0.826 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.081 2.114 11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.340 1.034 8.080 1.00 0.00 H new ATOM 0 HH TYR A 66 12.688 1.481 9.695 1.00 0.00 H new ATOM 1066 N GLU A 67 5.867 0.041 11.565 1.00 0.00 N ATOM 1067 CA GLU A 67 6.192 -0.274 12.947 1.00 0.00 C ATOM 1068 C GLU A 67 6.134 -1.785 13.174 1.00 0.00 C ATOM 1069 O GLU A 67 7.070 -2.373 13.716 1.00 0.00 O ATOM 1070 CB GLU A 67 5.260 0.463 13.910 1.00 0.00 C ATOM 1071 CG GLU A 67 5.759 1.886 14.174 1.00 0.00 C ATOM 1072 CD GLU A 67 5.171 2.438 15.475 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.619 1.970 16.544 1.00 0.00 O ATOM 1074 OE2 GLU A 67 4.289 3.318 15.370 1.00 0.00 O ATOM 0 H GLU A 67 5.130 0.736 11.448 1.00 0.00 H new ATOM 0 HA GLU A 67 7.209 0.064 13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.254 0.498 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.196 -0.084 14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.847 1.889 14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.482 2.533 13.342 1.00 0.00 H new ATOM 1081 N GLU A 68 5.026 -2.374 12.751 1.00 0.00 N ATOM 1082 CA GLU A 68 4.833 -3.806 12.903 1.00 0.00 C ATOM 1083 C GLU A 68 5.739 -4.569 11.934 1.00 0.00 C ATOM 1084 O GLU A 68 6.411 -5.520 12.326 1.00 0.00 O ATOM 1085 CB GLU A 68 3.364 -4.187 12.698 1.00 0.00 C ATOM 1086 CG GLU A 68 2.868 -5.089 13.829 1.00 0.00 C ATOM 1087 CD GLU A 68 1.661 -4.469 14.535 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.877 -3.481 15.269 1.00 0.00 O ATOM 1089 OE2 GLU A 68 0.547 -4.997 14.323 1.00 0.00 O ATOM 0 H GLU A 68 4.251 -1.885 12.302 1.00 0.00 H new ATOM 0 HA GLU A 68 5.107 -4.084 13.921 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.754 -3.285 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.247 -4.698 11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.597 -6.066 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.671 -5.251 14.548 1.00 0.00 H new ATOM 1096 N SER A 69 5.724 -4.123 10.686 1.00 0.00 N ATOM 1097 CA SER A 69 6.536 -4.752 9.657 1.00 0.00 C ATOM 1098 C SER A 69 8.004 -4.764 10.084 1.00 0.00 C ATOM 1099 O SER A 69 8.672 -5.794 9.999 1.00 0.00 O ATOM 1100 CB SER A 69 6.380 -4.033 8.316 1.00 0.00 C ATOM 1101 OG SER A 69 7.307 -2.962 8.172 1.00 0.00 O ATOM 0 H SER A 69 5.163 -3.334 10.364 1.00 0.00 H new ATOM 0 HA SER A 69 6.192 -5.779 9.530 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.522 -4.746 7.504 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.364 -3.647 8.228 1.00 0.00 H new ATOM 0 HG SER A 69 7.175 -2.530 7.302 1.00 0.00 H new ATOM 1107 N LYS A 70 8.466 -3.605 10.535 1.00 0.00 N ATOM 1108 CA LYS A 70 9.845 -3.470 10.974 1.00 0.00 C ATOM 1109 C LYS A 70 10.050 -4.286 12.252 1.00 0.00 C ATOM 1110 O LYS A 70 11.175 -4.665 12.577 1.00 0.00 O ATOM 1111 CB LYS A 70 10.216 -1.994 11.121 1.00 0.00 C ATOM 1112 CG LYS A 70 9.678 -1.419 12.434 1.00 0.00 C ATOM 1113 CD LYS A 70 10.814 -0.872 13.300 1.00 0.00 C ATOM 1114 CE LYS A 70 10.272 0.036 14.405 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.358 0.863 14.977 1.00 0.00 N ATOM 0 H LYS A 70 7.910 -2.753 10.605 1.00 0.00 H new ATOM 0 HA LYS A 70 10.526 -3.874 10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.300 -1.883 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.813 -1.429 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.963 -0.624 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.140 -2.193 12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.369 -1.699 13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.515 -0.315 12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.490 0.680 14.003 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.816 -0.568 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.972 1.473 15.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.091 0.244 15.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.775 1.454 14.229 1.00 0.00 H new ATOM 1129 N GLU A 71 8.947 -4.534 12.942 1.00 0.00 N ATOM 1130 CA GLU A 71 8.992 -5.297 14.177 1.00 0.00 C ATOM 1131 C GLU A 71 9.482 -6.720 13.903 1.00 0.00 C ATOM 1132 O GLU A 71 10.291 -7.259 14.657 1.00 0.00 O ATOM 1133 CB GLU A 71 7.625 -5.311 14.865 1.00 0.00 C ATOM 1134 CG GLU A 71 7.771 -5.533 16.370 1.00 0.00 C ATOM 1135 CD GLU A 71 6.425 -5.887 17.006 1.00 0.00 C ATOM 1136 OE1 GLU A 71 6.084 -7.089 16.980 1.00 0.00 O ATOM 1137 OE2 GLU A 71 5.766 -4.947 17.503 1.00 0.00 O ATOM 0 H GLU A 71 8.016 -4.220 12.669 1.00 0.00 H new ATOM 0 HA GLU A 71 9.697 -4.814 14.854 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.112 -4.367 14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.006 -6.099 14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.486 -6.334 16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.172 -4.633 16.837 1.00 0.00 H new ATOM 1144 N LYS A 72 8.971 -7.291 12.821 1.00 0.00 N ATOM 1145 CA LYS A 72 9.346 -8.640 12.438 1.00 0.00 C ATOM 1146 C LYS A 72 10.437 -8.579 11.368 1.00 0.00 C ATOM 1147 O LYS A 72 11.579 -8.963 11.616 1.00 0.00 O ATOM 1148 CB LYS A 72 8.112 -9.439 12.013 1.00 0.00 C ATOM 1149 CG LYS A 72 8.512 -10.675 11.204 1.00 0.00 C ATOM 1150 CD LYS A 72 7.339 -11.180 10.360 1.00 0.00 C ATOM 1151 CE LYS A 72 7.529 -10.815 8.885 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.487 -11.459 8.055 1.00 0.00 N ATOM 0 H LYS A 72 8.300 -6.842 12.198 1.00 0.00 H new ATOM 0 HA LYS A 72 9.766 -9.174 13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.550 -9.744 12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.453 -8.808 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.354 -10.433 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.846 -11.464 11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.251 -12.262 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.408 -10.748 10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.483 -9.733 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.517 -11.132 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.630 -11.202 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.550 -12.492 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.548 -11.137 8.365 1.00 0.00 H new ATOM 1166 N PHE A 73 10.047 -8.088 10.200 1.00 0.00 N ATOM 1167 CA PHE A 73 10.979 -7.971 9.089 1.00 0.00 C ATOM 1168 C PHE A 73 10.883 -6.590 8.439 1.00 0.00 C ATOM 1169 O PHE A 73 11.825 -5.801 8.507 1.00 0.00 O ATOM 1170 CB PHE A 73 10.587 -9.034 8.063 1.00 0.00 C ATOM 1171 CG PHE A 73 11.651 -10.113 7.845 1.00 0.00 C ATOM 1172 CD1 PHE A 73 11.687 -11.204 8.656 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.560 -9.980 6.843 1.00 0.00 C ATOM 1174 CE1 PHE A 73 12.674 -12.205 8.456 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.548 -10.980 6.643 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.584 -12.072 7.453 1.00 0.00 C ATOM 0 H PHE A 73 9.100 -7.767 9.999 1.00 0.00 H new ATOM 0 HA PHE A 73 12.001 -8.106 9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.661 -9.511 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.379 -8.546 7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.965 -11.309 9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.531 -9.114 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.702 -13.072 9.100 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.271 -10.873 5.848 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.335 -12.833 7.300 1.00 0.00 H new ATOM 1186 N GLY A 74 9.736 -6.340 7.823 1.00 0.00 N ATOM 1187 CA GLY A 74 9.505 -5.067 7.160 1.00 0.00 C ATOM 1188 C GLY A 74 10.237 -5.007 5.816 1.00 0.00 C ATOM 1189 O GLY A 74 10.125 -4.023 5.089 1.00 0.00 O ATOM 0 H GLY A 74 8.957 -6.997 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.436 -4.924 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.845 -4.253 7.800 1.00 0.00 H new ATOM 1193 N LYS A 75 10.970 -6.074 5.531 1.00 0.00 N ATOM 1194 CA LYS A 75 11.718 -6.155 4.289 1.00 0.00 C ATOM 1195 C LYS A 75 11.299 -7.414 3.526 1.00 0.00 C ATOM 1196 O LYS A 75 11.809 -8.503 3.789 1.00 0.00 O ATOM 1197 CB LYS A 75 13.222 -6.075 4.563 1.00 0.00 C ATOM 1198 CG LYS A 75 13.526 -5.039 5.648 1.00 0.00 C ATOM 1199 CD LYS A 75 14.830 -5.374 6.375 1.00 0.00 C ATOM 1200 CE LYS A 75 15.282 -4.207 7.255 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.535 -4.547 7.964 1.00 0.00 N ATOM 0 H LYS A 75 11.061 -6.888 6.139 1.00 0.00 H new ATOM 0 HA LYS A 75 11.487 -5.303 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.591 -7.052 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.749 -5.812 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.599 -4.048 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.705 -5.005 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.690 -6.264 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.607 -5.607 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.434 -3.319 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.502 -3.966 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.827 -3.744 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.379 -5.382 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.281 -4.755 7.270 1.00 0.00 H new ATOM 1215 N PRO A 76 10.350 -7.219 2.573 1.00 0.00 N ATOM 1216 CA PRO A 76 9.857 -8.325 1.770 1.00 0.00 C ATOM 1217 C PRO A 76 10.883 -8.737 0.713 1.00 0.00 C ATOM 1218 O PRO A 76 11.921 -8.094 0.567 1.00 0.00 O ATOM 1219 CB PRO A 76 8.553 -7.825 1.168 1.00 0.00 C ATOM 1220 CG PRO A 76 8.599 -6.310 1.278 1.00 0.00 C ATOM 1221 CD PRO A 76 9.724 -5.944 2.233 1.00 0.00 C ATOM 0 HA PRO A 76 9.689 -9.228 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.457 -8.139 0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.695 -8.230 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.769 -5.862 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.647 -5.925 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.437 -5.265 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.342 -5.441 3.121 1.00 0.00 H new ATOM 1229 N ASN A 77 10.558 -9.808 0.003 1.00 0.00 N ATOM 1230 CA ASN A 77 11.439 -10.313 -1.036 1.00 0.00 C ATOM 1231 C ASN A 77 11.798 -9.174 -1.992 1.00 0.00 C ATOM 1232 O ASN A 77 10.922 -8.443 -2.449 1.00 0.00 O ATOM 1233 CB ASN A 77 10.756 -11.415 -1.848 1.00 0.00 C ATOM 1234 CG ASN A 77 10.712 -12.728 -1.063 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.610 -13.810 -1.618 1.00 0.00 O ATOM 1236 ND2 ASN A 77 10.793 -12.572 0.255 1.00 0.00 N ATOM 0 H ASN A 77 9.696 -10.340 0.127 1.00 0.00 H new ATOM 0 HA ASN A 77 12.330 -10.718 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.743 -11.107 -2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.291 -11.566 -2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.771 -13.387 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.877 -11.637 0.654 1.00 0.00 H new ATOM 1243 N LYS A 78 13.090 -9.059 -2.266 1.00 0.00 N ATOM 1244 CA LYS A 78 13.576 -8.023 -3.160 1.00 0.00 C ATOM 1245 C LYS A 78 13.467 -8.508 -4.607 1.00 0.00 C ATOM 1246 O LYS A 78 14.429 -9.039 -5.161 1.00 0.00 O ATOM 1247 CB LYS A 78 14.988 -7.591 -2.761 1.00 0.00 C ATOM 1248 CG LYS A 78 14.992 -6.159 -2.222 1.00 0.00 C ATOM 1249 CD LYS A 78 15.284 -5.153 -3.338 1.00 0.00 C ATOM 1250 CE LYS A 78 15.530 -3.756 -2.766 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.915 -3.318 -3.045 1.00 0.00 N ATOM 0 H LYS A 78 13.815 -9.667 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 78 12.958 -7.129 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.379 -8.270 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.651 -7.660 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.026 -5.935 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.742 -6.064 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.157 -5.477 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.445 -5.123 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.824 -3.049 -3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.354 -3.761 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.065 -2.368 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.584 -3.984 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.071 -3.294 -4.073 1.00 0.00 H new ATOM 1265 N ARG A 79 12.288 -8.312 -5.176 1.00 0.00 N ATOM 1266 CA ARG A 79 12.041 -8.723 -6.548 1.00 0.00 C ATOM 1267 C ARG A 79 12.204 -7.534 -7.497 1.00 0.00 C ATOM 1268 O ARG A 79 12.597 -6.448 -7.074 1.00 0.00 O ATOM 1269 CB ARG A 79 10.632 -9.302 -6.704 1.00 0.00 C ATOM 1270 CG ARG A 79 10.459 -10.560 -5.851 1.00 0.00 C ATOM 1271 CD ARG A 79 11.166 -11.757 -6.489 1.00 0.00 C ATOM 1272 NE ARG A 79 10.999 -12.956 -5.637 1.00 0.00 N ATOM 1273 CZ ARG A 79 9.856 -13.646 -5.526 1.00 0.00 C ATOM 1274 NH1 ARG A 79 8.772 -13.261 -6.212 1.00 0.00 N ATOM 1275 NH2 ARG A 79 9.797 -14.723 -4.729 1.00 0.00 N ATOM 0 H ARG A 79 11.492 -7.874 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 79 12.769 -9.494 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.894 -8.555 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.447 -9.540 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.861 -10.385 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.398 -10.780 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.756 -11.946 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.226 -11.537 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 79 11.805 -13.277 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.817 -12.442 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.902 -13.786 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.623 -15.017 -4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.927 -15.248 -4.645 1.00 0.00 H new ATOM 1289 N LYS A 80 11.896 -7.782 -8.761 1.00 0.00 N ATOM 1290 CA LYS A 80 12.003 -6.745 -9.774 1.00 0.00 C ATOM 1291 C LYS A 80 10.945 -5.672 -9.514 1.00 0.00 C ATOM 1292 O LYS A 80 11.229 -4.478 -9.605 1.00 0.00 O ATOM 1293 CB LYS A 80 11.931 -7.355 -11.175 1.00 0.00 C ATOM 1294 CG LYS A 80 13.328 -7.516 -11.777 1.00 0.00 C ATOM 1295 CD LYS A 80 13.541 -8.940 -12.293 1.00 0.00 C ATOM 1296 CE LYS A 80 14.112 -9.842 -11.196 1.00 0.00 C ATOM 1297 NZ LYS A 80 15.589 -9.744 -11.161 1.00 0.00 N ATOM 0 H LYS A 80 11.572 -8.685 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 80 12.975 -6.254 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.438 -8.326 -11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.324 -6.720 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.460 -6.806 -12.593 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.081 -7.281 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.594 -9.347 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.220 -8.924 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.699 -9.554 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.814 -10.875 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.960 -10.362 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.978 -10.040 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.867 -8.761 -10.968 1.00 0.00 H new ATOM 1311 N GLY A 81 9.746 -6.135 -9.196 1.00 0.00 N ATOM 1312 CA GLY A 81 8.642 -5.229 -8.922 1.00 0.00 C ATOM 1313 C GLY A 81 8.774 -4.609 -7.530 1.00 0.00 C ATOM 1314 O GLY A 81 8.017 -3.707 -7.173 1.00 0.00 O ATOM 0 H GLY A 81 9.514 -7.125 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.619 -4.441 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.698 -5.768 -8.996 1.00 0.00 H new ATOM 1318 N PHE A 82 9.742 -5.116 -6.780 1.00 0.00 N ATOM 1319 CA PHE A 82 9.983 -4.623 -5.435 1.00 0.00 C ATOM 1320 C PHE A 82 10.840 -3.356 -5.461 1.00 0.00 C ATOM 1321 O PHE A 82 10.506 -2.363 -4.818 1.00 0.00 O ATOM 1322 CB PHE A 82 10.739 -5.721 -4.685 1.00 0.00 C ATOM 1323 CG PHE A 82 11.215 -5.309 -3.291 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.186 -4.366 -3.155 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.666 -5.884 -2.188 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.627 -3.983 -1.861 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.107 -5.501 -0.894 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.079 -4.558 -0.756 1.00 0.00 C ATOM 0 H PHE A 82 10.369 -5.863 -7.079 1.00 0.00 H new ATOM 0 HA PHE A 82 9.036 -4.379 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.094 -6.595 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.602 -6.023 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.621 -3.909 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.895 -6.632 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.398 -3.235 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.671 -5.958 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.415 -4.267 0.228 1.00 0.00 H new ATOM 1338 N SER A 83 11.929 -3.433 -6.212 1.00 0.00 N ATOM 1339 CA SER A 83 12.837 -2.304 -6.330 1.00 0.00 C ATOM 1340 C SER A 83 12.151 -1.156 -7.074 1.00 0.00 C ATOM 1341 O SER A 83 12.131 -0.024 -6.594 1.00 0.00 O ATOM 1342 CB SER A 83 14.127 -2.707 -7.050 1.00 0.00 C ATOM 1343 OG SER A 83 15.287 -2.307 -6.327 1.00 0.00 O ATOM 0 H SER A 83 12.203 -4.259 -6.744 1.00 0.00 H new ATOM 0 HA SER A 83 13.101 -1.972 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.142 -3.788 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.145 -2.256 -8.042 1.00 0.00 H new ATOM 0 HG SER A 83 16.089 -2.583 -6.817 1.00 0.00 H new ATOM 1349 N GLU A 84 11.606 -1.488 -8.235 1.00 0.00 N ATOM 1350 CA GLU A 84 10.922 -0.499 -9.051 1.00 0.00 C ATOM 1351 C GLU A 84 9.615 -0.071 -8.379 1.00 0.00 C ATOM 1352 O GLU A 84 9.225 1.093 -8.457 1.00 0.00 O ATOM 1353 CB GLU A 84 10.664 -1.035 -10.461 1.00 0.00 C ATOM 1354 CG GLU A 84 9.320 -1.763 -10.535 1.00 0.00 C ATOM 1355 CD GLU A 84 9.155 -2.474 -11.879 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.163 -3.044 -12.347 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.023 -2.432 -12.408 1.00 0.00 O ATOM 0 H GLU A 84 11.624 -2.428 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 84 11.565 0.376 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.675 -0.211 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.466 -1.715 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.250 -2.489 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.508 -1.050 -10.395 1.00 0.00 H new ATOM 1364 N GLY A 85 8.973 -1.036 -7.735 1.00 0.00 N ATOM 1365 CA GLY A 85 7.718 -0.774 -7.052 1.00 0.00 C ATOM 1366 C GLY A 85 7.916 0.222 -5.907 1.00 0.00 C ATOM 1367 O GLY A 85 7.226 1.237 -5.836 1.00 0.00 O ATOM 0 H GLY A 85 9.299 -2.000 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.989 -0.380 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.310 -1.706 -6.662 1.00 0.00 H new ATOM 1371 N LEU A 86 8.861 -0.106 -5.037 1.00 0.00 N ATOM 1372 CA LEU A 86 9.158 0.748 -3.899 1.00 0.00 C ATOM 1373 C LEU A 86 9.586 2.129 -4.399 1.00 0.00 C ATOM 1374 O LEU A 86 9.395 3.128 -3.710 1.00 0.00 O ATOM 1375 CB LEU A 86 10.187 0.079 -2.983 1.00 0.00 C ATOM 1376 CG LEU A 86 11.112 1.022 -2.213 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.062 1.756 -3.163 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.307 1.992 -1.345 1.00 0.00 C ATOM 0 H LEU A 86 9.430 -0.950 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 86 8.267 0.893 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.654 -0.543 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.802 -0.588 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 86 11.727 0.423 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.709 2.420 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.672 1.030 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.482 2.341 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.989 2.651 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.650 2.588 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.708 1.429 -0.629 1.00 0.00 H new ATOM 1390 N TRP A 87 10.158 2.138 -5.594 1.00 0.00 N ATOM 1391 CA TRP A 87 10.615 3.380 -6.194 1.00 0.00 C ATOM 1392 C TRP A 87 9.435 4.006 -6.942 1.00 0.00 C ATOM 1393 O TRP A 87 9.431 5.207 -7.207 1.00 0.00 O ATOM 1394 CB TRP A 87 11.832 3.141 -7.092 1.00 0.00 C ATOM 1395 CG TRP A 87 13.083 3.909 -6.661 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.439 5.157 -6.992 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.135 3.425 -5.800 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.639 5.512 -6.412 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.076 4.424 -5.663 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.288 2.183 -5.159 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.235 4.287 -4.891 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.451 2.060 -4.391 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.407 3.058 -4.242 1.00 0.00 C ATOM 0 H TRP A 87 10.315 1.306 -6.162 1.00 0.00 H new ATOM 0 HA TRP A 87 10.952 4.077 -5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.059 2.075 -7.104 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.578 3.424 -8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.859 5.804 -7.633 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.118 6.407 -6.513 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.565 1.386 -5.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.957 5.085 -4.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.618 1.124 -3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.279 2.886 -3.628 1.00 0.00 H new ATOM 1414 N GLU A 88 8.463 3.163 -7.260 1.00 0.00 N ATOM 1415 CA GLU A 88 7.282 3.618 -7.971 1.00 0.00 C ATOM 1416 C GLU A 88 6.377 4.424 -7.036 1.00 0.00 C ATOM 1417 O GLU A 88 5.571 5.235 -7.491 1.00 0.00 O ATOM 1418 CB GLU A 88 6.523 2.440 -8.586 1.00 0.00 C ATOM 1419 CG GLU A 88 6.938 2.222 -10.042 1.00 0.00 C ATOM 1420 CD GLU A 88 5.817 1.549 -10.836 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.500 0.387 -10.500 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.302 2.212 -11.762 1.00 0.00 O ATOM 0 H GLU A 88 8.470 2.168 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 88 7.601 4.267 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.718 1.536 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.450 2.626 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.189 3.179 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.836 1.605 -10.080 1.00 0.00 H new ATOM 1429 N ILE A 89 6.540 4.173 -5.744 1.00 0.00 N ATOM 1430 CA ILE A 89 5.748 4.864 -4.741 1.00 0.00 C ATOM 1431 C ILE A 89 6.579 5.997 -4.135 1.00 0.00 C ATOM 1432 O ILE A 89 6.073 7.097 -3.922 1.00 0.00 O ATOM 1433 CB ILE A 89 5.209 3.874 -3.708 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.764 4.598 -2.436 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.234 2.776 -3.414 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.971 5.033 -1.601 1.00 0.00 C ATOM 0 H ILE A 89 7.209 3.500 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 89 4.869 5.321 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 89 4.328 3.388 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.167 5.471 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.126 3.942 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.826 2.085 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.460 2.234 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.147 3.226 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.626 5.545 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.553 4.156 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.594 5.708 -2.187 1.00 0.00 H new ATOM 1448 N GLU A 90 7.840 5.688 -3.873 1.00 0.00 N ATOM 1449 CA GLU A 90 8.746 6.665 -3.293 1.00 0.00 C ATOM 1450 C GLU A 90 9.202 7.663 -4.361 1.00 0.00 C ATOM 1451 O GLU A 90 9.455 8.828 -4.058 1.00 0.00 O ATOM 1452 CB GLU A 90 9.946 5.979 -2.637 1.00 0.00 C ATOM 1453 CG GLU A 90 9.640 5.617 -1.182 1.00 0.00 C ATOM 1454 CD GLU A 90 10.870 5.823 -0.296 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.960 5.390 -0.728 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.693 6.407 0.795 1.00 0.00 O ATOM 0 H GLU A 90 8.256 4.774 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 90 8.212 7.211 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.204 5.078 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.813 6.638 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.817 6.231 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.314 4.579 -1.123 1.00 0.00 H new ATOM 1463 N ASN A 91 9.291 7.170 -5.588 1.00 0.00 N ATOM 1464 CA ASN A 91 9.712 8.004 -6.700 1.00 0.00 C ATOM 1465 C ASN A 91 8.759 7.791 -7.879 1.00 0.00 C ATOM 1466 O ASN A 91 9.124 7.162 -8.871 1.00 0.00 O ATOM 1467 CB ASN A 91 11.123 7.637 -7.162 1.00 0.00 C ATOM 1468 CG ASN A 91 12.068 7.486 -5.966 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.045 8.203 -5.820 1.00 0.00 O ATOM 1470 ND2 ASN A 91 11.725 6.516 -5.124 1.00 0.00 N ATOM 0 H ASN A 91 9.079 6.204 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 91 9.701 9.042 -6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.094 6.706 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.501 8.407 -7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.293 6.335 -4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.894 5.953 -5.306 1.00 0.00 H new ATOM 1477 N ASN A 92 7.557 8.328 -7.731 1.00 0.00 N ATOM 1478 CA ASN A 92 6.550 8.205 -8.772 1.00 0.00 C ATOM 1479 C ASN A 92 6.881 9.170 -9.913 1.00 0.00 C ATOM 1480 O ASN A 92 7.171 10.342 -9.676 1.00 0.00 O ATOM 1481 CB ASN A 92 5.161 8.564 -8.238 1.00 0.00 C ATOM 1482 CG ASN A 92 5.200 9.865 -7.436 1.00 0.00 C ATOM 1483 OD1 ASN A 92 5.304 9.872 -6.220 1.00 0.00 O ATOM 1484 ND2 ASN A 92 5.112 10.963 -8.181 1.00 0.00 N ATOM 0 H ASN A 92 7.258 8.849 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 92 6.548 7.172 -9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.463 8.666 -9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.790 7.756 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.130 11.882 -7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.027 10.886 -9.195 1.00 0.00 H new