USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 134 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.6!) USER MOD Set 1.2: A 138 GLN :FLIP amide:sc= 0 F(o=-1.5,f=-0.017) USER MOD Single : A 79 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-2!) USER MOD Single : A 86 SER OG : rot 176:sc= 0.651 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.0705 (180deg=-0.452) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -70:sc= 0.245 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 125 SER OG : rot 37:sc= 0.00331 USER MOD Single : A 128 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.27 F(o=-1.7,f=-0.27) USER MOD Single : A 139 MET CE :methyl -168:sc= -2.9 (180deg=-4.1!) USER MOD Single : A 142 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.031) USER MOD Single : A 148 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 151 THR OG1 : rot 90:sc= -1.6! USER MOD Single : A 152 ASN : amide:sc= -3.21! C(o=-3.2!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.317 7.671 -1.602 1.00 0.00 N ATOM 196 CA PHE A 78 5.864 7.704 -1.730 1.00 0.00 C ATOM 197 C PHE A 78 5.241 6.423 -1.185 1.00 0.00 C ATOM 198 O PHE A 78 5.471 5.334 -1.711 1.00 0.00 O ATOM 199 CB PHE A 78 5.464 7.897 -3.194 1.00 0.00 C ATOM 200 CG PHE A 78 5.922 9.204 -3.774 1.00 0.00 C ATOM 201 CD1 PHE A 78 7.198 9.336 -4.298 1.00 0.00 C ATOM 202 CD2 PHE A 78 5.077 10.303 -3.793 1.00 0.00 C ATOM 203 CE1 PHE A 78 7.623 10.538 -4.833 1.00 0.00 C ATOM 204 CE2 PHE A 78 5.496 11.507 -4.327 1.00 0.00 C ATOM 205 CZ PHE A 78 6.771 11.625 -4.846 1.00 0.00 C ATOM 0 HA PHE A 78 5.492 8.545 -1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.879 7.081 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.379 7.832 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.869 8.490 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.080 10.217 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.619 10.627 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.827 12.355 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.101 12.566 -5.261 1.00 0.00 H new ATOM 215 N HIS A 79 4.450 6.561 -0.125 1.00 0.00 N ATOM 216 CA HIS A 79 3.792 5.415 0.493 1.00 0.00 C ATOM 217 C HIS A 79 2.462 5.117 -0.193 1.00 0.00 C ATOM 218 O HIS A 79 1.755 6.030 -0.621 1.00 0.00 O ATOM 219 CB HIS A 79 3.565 5.672 1.983 1.00 0.00 C ATOM 220 CG HIS A 79 4.780 6.182 2.694 1.00 0.00 C ATOM 221 ND1 HIS A 79 5.881 5.395 2.962 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.066 7.407 3.193 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.789 6.114 3.596 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.320 7.339 3.748 1.00 0.00 N ATOM 0 H HIS A 79 4.249 7.455 0.324 1.00 0.00 H new ATOM 0 HA HIS A 79 4.443 4.548 0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.756 6.393 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.238 4.747 2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.427 8.277 3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.752 5.760 3.933 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.810 8.109 4.204 1.00 0.00 H new ATOM 232 N VAL A 80 2.127 3.835 -0.294 1.00 0.00 N ATOM 233 CA VAL A 80 0.882 3.417 -0.927 1.00 0.00 C ATOM 234 C VAL A 80 -0.010 2.668 0.057 1.00 0.00 C ATOM 235 O VAL A 80 0.477 1.961 0.940 1.00 0.00 O ATOM 236 CB VAL A 80 1.147 2.518 -2.149 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.116 1.770 -2.546 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.676 3.344 -3.312 1.00 0.00 C ATOM 0 H VAL A 80 2.701 3.067 0.055 1.00 0.00 H new ATOM 0 HA VAL A 80 0.375 4.324 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 80 1.906 1.783 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.091 1.140 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.447 1.147 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.899 2.486 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.858 2.693 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.942 4.103 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.608 3.829 -3.020 1.00 0.00 H new ATOM 248 N PHE A 81 -1.320 2.828 -0.101 1.00 0.00 N ATOM 249 CA PHE A 81 -2.282 2.167 0.773 1.00 0.00 C ATOM 250 C PHE A 81 -2.844 0.911 0.114 1.00 0.00 C ATOM 251 O PHE A 81 -3.194 0.920 -1.067 1.00 0.00 O ATOM 252 CB PHE A 81 -3.422 3.124 1.129 1.00 0.00 C ATOM 253 CG PHE A 81 -4.670 2.425 1.587 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.771 1.935 2.879 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.742 2.258 0.725 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.919 1.292 3.304 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.892 1.616 1.144 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.980 1.132 2.435 1.00 0.00 C ATOM 0 H PHE A 81 -1.740 3.410 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.763 1.875 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.085 3.801 1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.657 3.737 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.943 2.057 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.678 2.634 -0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.986 0.916 4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.721 1.493 0.463 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.877 0.629 2.764 1.00 0.00 H new ATOM 268 N VAL A 82 -2.926 -0.169 0.884 1.00 0.00 N ATOM 269 CA VAL A 82 -3.446 -1.433 0.376 1.00 0.00 C ATOM 270 C VAL A 82 -4.430 -2.058 1.359 1.00 0.00 C ATOM 271 O VAL A 82 -4.146 -2.170 2.551 1.00 0.00 O ATOM 272 CB VAL A 82 -2.310 -2.435 0.097 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.818 -3.598 -0.742 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.144 -1.740 -0.589 1.00 0.00 C ATOM 0 H VAL A 82 -2.639 -0.194 1.862 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.962 -1.210 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.957 -2.832 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.002 -4.296 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.618 -4.110 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.199 -3.222 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.350 -2.463 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.480 -1.313 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.765 -0.945 0.054 1.00 0.00 H new ATOM 284 N GLY A 83 -5.589 -2.464 0.850 1.00 0.00 N ATOM 285 CA GLY A 83 -6.598 -3.073 1.697 1.00 0.00 C ATOM 286 C GLY A 83 -7.241 -4.285 1.052 1.00 0.00 C ATOM 287 O GLY A 83 -6.843 -4.703 -0.035 1.00 0.00 O ATOM 0 H GLY A 83 -5.847 -2.382 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.144 -3.367 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.368 -2.336 1.927 1.00 0.00 H new ATOM 291 N ASP A 84 -8.237 -4.852 1.724 1.00 0.00 N ATOM 292 CA ASP A 84 -8.936 -6.024 1.211 1.00 0.00 C ATOM 293 C ASP A 84 -7.976 -7.197 1.036 1.00 0.00 C ATOM 294 O ASP A 84 -8.201 -8.080 0.208 1.00 0.00 O ATOM 295 CB ASP A 84 -9.611 -5.699 -0.122 1.00 0.00 C ATOM 296 CG ASP A 84 -11.012 -5.148 0.057 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.766 -5.703 0.883 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.355 -4.163 -0.630 1.00 0.00 O ATOM 0 H ASP A 84 -8.578 -4.519 2.626 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.699 -6.307 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.005 -4.974 -0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.654 -6.600 -0.733 1.00 0.00 H new ATOM 303 N LEU A 85 -6.904 -7.198 1.821 1.00 0.00 N ATOM 304 CA LEU A 85 -5.907 -8.262 1.753 1.00 0.00 C ATOM 305 C LEU A 85 -6.324 -9.454 2.608 1.00 0.00 C ATOM 306 O LEU A 85 -6.646 -9.303 3.786 1.00 0.00 O ATOM 307 CB LEU A 85 -4.545 -7.741 2.213 1.00 0.00 C ATOM 308 CG LEU A 85 -4.104 -6.401 1.623 1.00 0.00 C ATOM 309 CD1 LEU A 85 -3.007 -5.778 2.474 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.632 -6.580 0.188 1.00 0.00 C ATOM 0 H LEU A 85 -6.703 -6.475 2.512 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.832 -8.591 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.562 -7.649 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.791 -8.489 1.968 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.961 -5.727 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.706 -4.825 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.380 -5.613 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.148 -6.449 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.322 -5.616 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.789 -7.271 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.446 -6.981 -0.415 1.00 0.00 H new ATOM 322 N SER A 86 -6.314 -10.639 2.006 1.00 0.00 N ATOM 323 CA SER A 86 -6.693 -11.858 2.712 1.00 0.00 C ATOM 324 C SER A 86 -5.889 -12.012 3.999 1.00 0.00 C ATOM 325 O SER A 86 -4.775 -11.505 4.130 1.00 0.00 O ATOM 326 CB SER A 86 -6.480 -13.079 1.815 1.00 0.00 C ATOM 327 OG SER A 86 -6.149 -14.224 2.582 1.00 0.00 O ATOM 0 H SER A 86 -6.048 -10.781 1.032 1.00 0.00 H new ATOM 0 HA SER A 86 -7.749 -11.786 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.384 -13.273 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.684 -12.874 1.100 1.00 0.00 H new ATOM 0 HG SER A 86 -6.086 -15.005 1.993 1.00 0.00 H new ATOM 333 N PRO A 87 -6.467 -12.729 4.975 1.00 0.00 N ATOM 334 CA PRO A 87 -5.823 -12.968 6.270 1.00 0.00 C ATOM 335 C PRO A 87 -4.625 -13.904 6.157 1.00 0.00 C ATOM 336 O PRO A 87 -3.863 -14.069 7.109 1.00 0.00 O ATOM 337 CB PRO A 87 -6.931 -13.616 7.103 1.00 0.00 C ATOM 338 CG PRO A 87 -7.837 -14.247 6.103 1.00 0.00 C ATOM 339 CD PRO A 87 -7.794 -13.362 4.888 1.00 0.00 C ATOM 0 HA PRO A 87 -5.427 -12.050 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.526 -14.356 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.459 -12.876 7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.508 -15.258 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.852 -14.327 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.906 -13.936 3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.594 -12.622 4.901 1.00 0.00 H new ATOM 347 N GLU A 88 -4.464 -14.515 4.987 1.00 0.00 N ATOM 348 CA GLU A 88 -3.358 -15.435 4.752 1.00 0.00 C ATOM 349 C GLU A 88 -2.206 -14.731 4.040 1.00 0.00 C ATOM 350 O GLU A 88 -1.142 -15.314 3.833 1.00 0.00 O ATOM 351 CB GLU A 88 -3.828 -16.632 3.923 1.00 0.00 C ATOM 352 CG GLU A 88 -3.807 -16.381 2.424 1.00 0.00 C ATOM 353 CD GLU A 88 -4.846 -17.198 1.681 1.00 0.00 C ATOM 354 OE1 GLU A 88 -4.694 -18.436 1.618 1.00 0.00 O ATOM 355 OE2 GLU A 88 -5.810 -16.598 1.162 1.00 0.00 O ATOM 0 H GLU A 88 -5.085 -14.389 4.188 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.003 -15.789 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.195 -17.490 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.842 -16.896 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.980 -15.322 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.817 -16.617 2.034 1.00 0.00 H new ATOM 362 N ILE A 89 -2.429 -13.475 3.668 1.00 0.00 N ATOM 363 CA ILE A 89 -1.410 -12.691 2.980 1.00 0.00 C ATOM 364 C ILE A 89 -0.348 -12.193 3.955 1.00 0.00 C ATOM 365 O ILE A 89 -0.660 -11.776 5.071 1.00 0.00 O ATOM 366 CB ILE A 89 -2.027 -11.483 2.250 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.965 -11.957 1.138 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.932 -10.592 1.683 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.277 -12.795 0.083 1.00 0.00 C ATOM 0 H ILE A 89 -3.305 -12.979 3.831 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.946 -13.351 2.247 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.608 -10.901 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.775 -12.537 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.419 -11.088 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.383 -9.743 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.300 -10.232 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.328 -11.162 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.002 -13.096 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.485 -12.211 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.847 -13.683 0.547 1.00 0.00 H new ATOM 381 N THR A 90 0.909 -12.239 3.526 1.00 0.00 N ATOM 382 CA THR A 90 2.018 -11.792 4.360 1.00 0.00 C ATOM 383 C THR A 90 2.730 -10.598 3.734 1.00 0.00 C ATOM 384 O THR A 90 2.564 -10.314 2.548 1.00 0.00 O ATOM 385 CB THR A 90 3.040 -12.922 4.589 1.00 0.00 C ATOM 386 OG1 THR A 90 4.092 -12.466 5.446 1.00 0.00 O ATOM 387 CG2 THR A 90 3.625 -13.398 3.268 1.00 0.00 C ATOM 0 H THR A 90 1.185 -12.581 2.606 1.00 0.00 H new ATOM 0 HA THR A 90 1.593 -11.497 5.319 1.00 0.00 H new ATOM 0 HB THR A 90 2.524 -13.758 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.736 -13.191 5.588 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.344 -14.196 3.455 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.825 -13.773 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.126 -12.567 2.772 1.00 0.00 H new ATOM 395 N THR A 91 3.525 -9.901 4.540 1.00 0.00 N ATOM 396 CA THR A 91 4.262 -8.736 4.066 1.00 0.00 C ATOM 397 C THR A 91 4.895 -9.004 2.705 1.00 0.00 C ATOM 398 O THR A 91 4.928 -8.126 1.843 1.00 0.00 O ATOM 399 CB THR A 91 5.364 -8.326 5.060 1.00 0.00 C ATOM 400 OG1 THR A 91 4.781 -7.688 6.202 1.00 0.00 O ATOM 401 CG2 THR A 91 6.363 -7.385 4.403 1.00 0.00 C ATOM 0 H THR A 91 3.675 -10.123 5.524 1.00 0.00 H new ATOM 0 HA THR A 91 3.543 -7.921 3.976 1.00 0.00 H new ATOM 0 HB THR A 91 5.890 -9.227 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.488 -7.432 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.132 -7.109 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.826 -7.883 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.847 -6.488 4.062 1.00 0.00 H new ATOM 409 N GLU A 92 5.397 -10.221 2.519 1.00 0.00 N ATOM 410 CA GLU A 92 6.029 -10.602 1.262 1.00 0.00 C ATOM 411 C GLU A 92 5.028 -10.550 0.112 1.00 0.00 C ATOM 412 O GLU A 92 5.244 -9.856 -0.882 1.00 0.00 O ATOM 413 CB GLU A 92 6.625 -12.007 1.371 1.00 0.00 C ATOM 414 CG GLU A 92 7.630 -12.156 2.501 1.00 0.00 C ATOM 415 CD GLU A 92 8.484 -13.401 2.361 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.080 -14.461 2.883 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.558 -13.315 1.728 1.00 0.00 O ATOM 0 H GLU A 92 5.378 -10.959 3.223 1.00 0.00 H new ATOM 0 HA GLU A 92 6.829 -9.891 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.818 -12.725 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.110 -12.261 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.275 -11.278 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.099 -12.189 3.452 1.00 0.00 H new ATOM 424 N ASP A 93 3.933 -11.288 0.254 1.00 0.00 N ATOM 425 CA ASP A 93 2.898 -11.327 -0.772 1.00 0.00 C ATOM 426 C ASP A 93 2.707 -9.951 -1.403 1.00 0.00 C ATOM 427 O ASP A 93 2.755 -9.806 -2.625 1.00 0.00 O ATOM 428 CB ASP A 93 1.577 -11.816 -0.176 1.00 0.00 C ATOM 429 CG ASP A 93 1.428 -13.323 -0.256 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.463 -13.863 -1.381 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.276 -13.961 0.807 1.00 0.00 O ATOM 0 H ASP A 93 3.739 -11.868 1.070 1.00 0.00 H new ATOM 0 HA ASP A 93 3.217 -12.022 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.514 -11.502 0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.747 -11.343 -0.702 1.00 0.00 H new ATOM 436 N ILE A 94 2.489 -8.945 -0.562 1.00 0.00 N ATOM 437 CA ILE A 94 2.291 -7.582 -1.038 1.00 0.00 C ATOM 438 C ILE A 94 3.417 -7.158 -1.975 1.00 0.00 C ATOM 439 O ILE A 94 3.179 -6.805 -3.130 1.00 0.00 O ATOM 440 CB ILE A 94 2.208 -6.584 0.132 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.125 -7.015 1.123 1.00 0.00 C ATOM 442 CG2 ILE A 94 1.930 -5.181 -0.388 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.674 -5.905 2.046 1.00 0.00 C ATOM 0 H ILE A 94 2.445 -9.049 0.452 1.00 0.00 H new ATOM 0 HA ILE A 94 1.346 -7.571 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 94 3.166 -6.575 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.264 -7.388 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.501 -7.844 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.874 -4.487 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.733 -4.876 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.983 -5.174 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.094 -6.282 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.524 -5.548 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.267 -5.084 1.456 1.00 0.00 H new ATOM 455 N LYS A 95 4.645 -7.195 -1.470 1.00 0.00 N ATOM 456 CA LYS A 95 5.810 -6.818 -2.261 1.00 0.00 C ATOM 457 C LYS A 95 5.801 -7.524 -3.613 1.00 0.00 C ATOM 458 O LYS A 95 6.156 -6.935 -4.634 1.00 0.00 O ATOM 459 CB LYS A 95 7.097 -7.157 -1.505 1.00 0.00 C ATOM 460 CG LYS A 95 7.614 -6.018 -0.643 1.00 0.00 C ATOM 461 CD LYS A 95 8.711 -6.486 0.299 1.00 0.00 C ATOM 462 CE LYS A 95 8.141 -6.953 1.629 1.00 0.00 C ATOM 463 NZ LYS A 95 9.185 -7.569 2.494 1.00 0.00 N ATOM 0 H LYS A 95 4.859 -7.483 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 95 5.769 -5.742 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.919 -8.027 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.868 -7.437 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.997 -5.222 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.792 -5.596 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.268 -7.300 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.417 -5.673 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.692 -6.107 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.345 -7.676 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.944 -7.414 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.235 -8.590 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.107 -7.134 2.289 1.00 0.00 H new ATOM 477 N ALA A 96 5.393 -8.788 -3.613 1.00 0.00 N ATOM 478 CA ALA A 96 5.334 -9.573 -4.840 1.00 0.00 C ATOM 479 C ALA A 96 4.375 -8.947 -5.847 1.00 0.00 C ATOM 480 O ALA A 96 4.607 -8.999 -7.054 1.00 0.00 O ATOM 481 CB ALA A 96 4.920 -11.004 -4.533 1.00 0.00 C ATOM 0 H ALA A 96 5.098 -9.291 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 96 6.330 -9.582 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.880 -11.578 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.646 -11.456 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.937 -11.005 -4.063 1.00 0.00 H new ATOM 487 N ALA A 97 3.297 -8.356 -5.341 1.00 0.00 N ATOM 488 CA ALA A 97 2.303 -7.719 -6.197 1.00 0.00 C ATOM 489 C ALA A 97 2.869 -6.467 -6.857 1.00 0.00 C ATOM 490 O ALA A 97 2.854 -6.337 -8.081 1.00 0.00 O ATOM 491 CB ALA A 97 1.057 -7.377 -5.393 1.00 0.00 C ATOM 0 H ALA A 97 3.090 -8.305 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 97 2.033 -8.422 -6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.323 -6.902 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.633 -8.289 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.321 -6.694 -4.585 1.00 0.00 H new ATOM 497 N PHE A 98 3.368 -5.546 -6.039 1.00 0.00 N ATOM 498 CA PHE A 98 3.938 -4.302 -6.544 1.00 0.00 C ATOM 499 C PHE A 98 5.402 -4.492 -6.930 1.00 0.00 C ATOM 500 O PHE A 98 6.071 -3.549 -7.351 1.00 0.00 O ATOM 501 CB PHE A 98 3.815 -3.196 -5.494 1.00 0.00 C ATOM 502 CG PHE A 98 2.410 -2.989 -5.003 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.850 -3.856 -4.079 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.650 -1.928 -5.467 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.558 -3.668 -3.625 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.358 -1.734 -5.017 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.189 -2.606 -4.096 1.00 0.00 C ATOM 0 H PHE A 98 3.389 -5.638 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 98 3.380 -4.011 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.456 -3.438 -4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.185 -2.262 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.430 -4.689 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.072 -1.244 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.133 -4.350 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.223 -0.902 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.199 -2.458 -3.745 1.00 0.00 H new ATOM 517 N ALA A 99 5.892 -5.718 -6.783 1.00 0.00 N ATOM 518 CA ALA A 99 7.275 -6.033 -7.118 1.00 0.00 C ATOM 519 C ALA A 99 7.613 -5.586 -8.536 1.00 0.00 C ATOM 520 O ALA A 99 8.505 -4.768 -8.759 1.00 0.00 O ATOM 521 CB ALA A 99 7.531 -7.525 -6.957 1.00 0.00 C ATOM 0 H ALA A 99 5.352 -6.510 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 99 7.922 -5.488 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.568 -7.746 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.340 -7.818 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.869 -8.081 -7.620 1.00 0.00 H new ATOM 527 N PRO A 100 6.885 -6.136 -9.519 1.00 0.00 N ATOM 528 CA PRO A 100 7.089 -5.809 -10.933 1.00 0.00 C ATOM 529 C PRO A 100 6.650 -4.387 -11.269 1.00 0.00 C ATOM 530 O PRO A 100 6.769 -3.943 -12.411 1.00 0.00 O ATOM 531 CB PRO A 100 6.210 -6.827 -11.664 1.00 0.00 C ATOM 532 CG PRO A 100 5.153 -7.190 -10.679 1.00 0.00 C ATOM 533 CD PRO A 100 5.805 -7.119 -9.326 1.00 0.00 C ATOM 0 HA PRO A 100 8.141 -5.855 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.778 -6.400 -12.569 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.786 -7.701 -11.968 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.309 -6.503 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.765 -8.190 -10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.102 -6.798 -8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.195 -8.089 -9.016 1.00 0.00 H new ATOM 541 N PHE A 101 6.141 -3.678 -10.267 1.00 0.00 N ATOM 542 CA PHE A 101 5.683 -2.307 -10.456 1.00 0.00 C ATOM 543 C PHE A 101 6.732 -1.311 -9.971 1.00 0.00 C ATOM 544 O PHE A 101 6.471 -0.112 -9.879 1.00 0.00 O ATOM 545 CB PHE A 101 4.365 -2.079 -9.713 1.00 0.00 C ATOM 546 CG PHE A 101 3.190 -2.762 -10.353 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.915 -4.093 -10.084 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.361 -2.072 -11.223 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.834 -4.723 -10.673 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.279 -2.697 -11.814 1.00 0.00 C ATOM 551 CZ PHE A 101 1.015 -4.024 -11.537 1.00 0.00 C ATOM 0 H PHE A 101 6.035 -4.030 -9.316 1.00 0.00 H new ATOM 0 HA PHE A 101 5.523 -2.149 -11.522 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.468 -2.436 -8.688 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.168 -1.008 -9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.551 -4.644 -9.407 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.563 -1.034 -11.442 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.631 -5.761 -10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.641 -2.149 -12.491 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.169 -4.514 -11.996 1.00 0.00 H new ATOM 561 N GLY A 102 7.921 -1.818 -9.659 1.00 0.00 N ATOM 562 CA GLY A 102 8.992 -0.961 -9.186 1.00 0.00 C ATOM 563 C GLY A 102 9.589 -1.446 -7.880 1.00 0.00 C ATOM 564 O GLY A 102 8.876 -1.958 -7.016 1.00 0.00 O ATOM 0 H GLY A 102 8.161 -2.807 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.774 -0.911 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.611 0.052 -9.054 1.00 0.00 H new ATOM 568 N ARG A 103 10.900 -1.286 -7.734 1.00 0.00 N ATOM 569 CA ARG A 103 11.593 -1.714 -6.525 1.00 0.00 C ATOM 570 C ARG A 103 10.919 -1.142 -5.281 1.00 0.00 C ATOM 571 O ARG A 103 10.792 0.074 -5.137 1.00 0.00 O ATOM 572 CB ARG A 103 13.059 -1.279 -6.570 1.00 0.00 C ATOM 573 CG ARG A 103 13.947 -2.215 -7.373 1.00 0.00 C ATOM 574 CD ARG A 103 15.129 -1.476 -7.981 1.00 0.00 C ATOM 575 NE ARG A 103 16.104 -2.391 -8.568 1.00 0.00 N ATOM 576 CZ ARG A 103 15.932 -2.995 -9.739 1.00 0.00 C ATOM 577 NH1 ARG A 103 14.829 -2.783 -10.443 1.00 0.00 N ATOM 578 NH2 ARG A 103 16.865 -3.815 -10.207 1.00 0.00 N ATOM 0 H ARG A 103 11.504 -0.863 -8.439 1.00 0.00 H new ATOM 0 HA ARG A 103 11.546 -2.802 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.119 -0.278 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.441 -1.214 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.310 -3.016 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.362 -2.683 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.771 -0.788 -8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.614 -0.874 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 103 16.964 -2.577 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.109 -2.155 -10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.700 -3.248 -11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.715 -3.982 -9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.732 -4.278 -11.106 1.00 0.00 H new ATOM 592 N ILE A 104 10.490 -2.026 -4.387 1.00 0.00 N ATOM 593 CA ILE A 104 9.830 -1.608 -3.156 1.00 0.00 C ATOM 594 C ILE A 104 10.824 -1.517 -2.004 1.00 0.00 C ATOM 595 O ILE A 104 11.674 -2.391 -1.832 1.00 0.00 O ATOM 596 CB ILE A 104 8.698 -2.578 -2.767 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.853 -2.928 -3.994 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.831 -1.969 -1.676 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.969 -4.139 -3.793 1.00 0.00 C ATOM 0 H ILE A 104 10.587 -3.036 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 104 9.404 -0.622 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 104 9.142 -3.496 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.230 -2.072 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.514 -3.108 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.036 -2.666 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.442 -1.766 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.393 -1.038 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.399 -4.328 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.587 -5.007 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.283 -3.955 -2.966 1.00 0.00 H new ATOM 611 N SER A 105 10.711 -0.453 -1.215 1.00 0.00 N ATOM 612 CA SER A 105 11.601 -0.245 -0.079 1.00 0.00 C ATOM 613 C SER A 105 10.898 -0.587 1.232 1.00 0.00 C ATOM 614 O SER A 105 11.287 -1.522 1.932 1.00 0.00 O ATOM 615 CB SER A 105 12.090 1.204 -0.046 1.00 0.00 C ATOM 616 OG SER A 105 11.066 2.098 -0.446 1.00 0.00 O ATOM 0 H SER A 105 10.012 0.278 -1.342 1.00 0.00 H new ATOM 0 HA SER A 105 12.459 -0.908 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.424 1.455 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.952 1.315 -0.704 1.00 0.00 H new ATOM 0 HG SER A 105 11.404 3.017 -0.415 1.00 0.00 H new ATOM 622 N ASP A 106 9.861 0.178 1.556 1.00 0.00 N ATOM 623 CA ASP A 106 9.102 -0.043 2.782 1.00 0.00 C ATOM 624 C ASP A 106 7.807 -0.794 2.490 1.00 0.00 C ATOM 625 O ASP A 106 6.880 -0.245 1.896 1.00 0.00 O ATOM 626 CB ASP A 106 8.791 1.291 3.461 1.00 0.00 C ATOM 627 CG ASP A 106 10.035 2.124 3.700 1.00 0.00 C ATOM 628 OD1 ASP A 106 10.847 2.261 2.760 1.00 0.00 O ATOM 629 OD2 ASP A 106 10.197 2.639 4.825 1.00 0.00 O ATOM 0 H ASP A 106 9.527 0.956 0.987 1.00 0.00 H new ATOM 0 HA ASP A 106 9.710 -0.650 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.093 1.856 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.295 1.104 4.413 1.00 0.00 H new ATOM 634 N ALA A 107 7.751 -2.053 2.912 1.00 0.00 N ATOM 635 CA ALA A 107 6.570 -2.879 2.698 1.00 0.00 C ATOM 636 C ALA A 107 6.257 -3.720 3.931 1.00 0.00 C ATOM 637 O ALA A 107 7.108 -4.465 4.418 1.00 0.00 O ATOM 638 CB ALA A 107 6.765 -3.774 1.482 1.00 0.00 C ATOM 0 H ALA A 107 8.511 -2.523 3.404 1.00 0.00 H new ATOM 0 HA ALA A 107 5.723 -2.218 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.875 -4.386 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.932 -3.157 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.628 -4.421 1.641 1.00 0.00 H new ATOM 644 N ARG A 108 5.031 -3.596 4.430 1.00 0.00 N ATOM 645 CA ARG A 108 4.607 -4.344 5.608 1.00 0.00 C ATOM 646 C ARG A 108 3.087 -4.473 5.652 1.00 0.00 C ATOM 647 O ARG A 108 2.373 -3.766 4.940 1.00 0.00 O ATOM 648 CB ARG A 108 5.109 -3.660 6.880 1.00 0.00 C ATOM 649 CG ARG A 108 4.350 -2.390 7.229 1.00 0.00 C ATOM 650 CD ARG A 108 4.775 -1.840 8.582 1.00 0.00 C ATOM 651 NE ARG A 108 4.549 -2.802 9.658 1.00 0.00 N ATOM 652 CZ ARG A 108 5.418 -3.750 9.990 1.00 0.00 C ATOM 653 NH1 ARG A 108 6.564 -3.863 9.333 1.00 0.00 N ATOM 654 NH2 ARG A 108 5.141 -4.587 10.981 1.00 0.00 N ATOM 0 H ARG A 108 4.315 -2.985 4.037 1.00 0.00 H new ATOM 0 HA ARG A 108 5.037 -5.344 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.033 -4.359 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.166 -3.421 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.523 -1.638 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.280 -2.596 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.831 -1.573 8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 108 4.222 -0.925 8.792 1.00 0.00 H new ATOM 0 HE ARG A 108 3.676 -2.742 10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 108 6.780 -3.221 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 108 7.230 -4.592 9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.260 -4.503 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 108 5.809 -5.315 11.236 1.00 0.00 H new ATOM 668 N VAL A 109 2.599 -5.379 6.492 1.00 0.00 N ATOM 669 CA VAL A 109 1.165 -5.600 6.630 1.00 0.00 C ATOM 670 C VAL A 109 0.672 -5.172 8.008 1.00 0.00 C ATOM 671 O VAL A 109 1.019 -5.782 9.020 1.00 0.00 O ATOM 672 CB VAL A 109 0.800 -7.079 6.403 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.679 -7.312 6.669 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.170 -7.508 4.991 1.00 0.00 C ATOM 0 H VAL A 109 3.176 -5.972 7.088 1.00 0.00 H new ATOM 0 HA VAL A 109 0.677 -4.992 5.868 1.00 0.00 H new ATOM 0 HB VAL A 109 1.370 -7.687 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.917 -8.363 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.909 -7.046 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.272 -6.695 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.905 -8.556 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.628 -6.895 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.242 -7.381 4.841 1.00 0.00 H new ATOM 684 N VAL A 110 -0.139 -4.120 8.040 1.00 0.00 N ATOM 685 CA VAL A 110 -0.681 -3.611 9.294 1.00 0.00 C ATOM 686 C VAL A 110 -1.211 -4.745 10.165 1.00 0.00 C ATOM 687 O VAL A 110 -1.860 -5.668 9.674 1.00 0.00 O ATOM 688 CB VAL A 110 -1.814 -2.597 9.045 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.421 -2.140 10.363 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.300 -1.410 8.245 1.00 0.00 C ATOM 0 H VAL A 110 -0.435 -3.603 7.212 1.00 0.00 H new ATOM 0 HA VAL A 110 0.137 -3.111 9.812 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.595 -3.087 8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.219 -1.424 10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.828 -3.001 10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.652 -1.667 10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.113 -0.704 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.500 -0.918 8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.918 -1.756 7.285 1.00 0.00 H new ATOM 700 N LYS A 111 -0.929 -4.669 11.461 1.00 0.00 N ATOM 701 CA LYS A 111 -1.378 -5.687 12.403 1.00 0.00 C ATOM 702 C LYS A 111 -1.888 -5.050 13.691 1.00 0.00 C ATOM 703 O LYS A 111 -1.581 -3.895 13.987 1.00 0.00 O ATOM 704 CB LYS A 111 -0.238 -6.658 12.718 1.00 0.00 C ATOM 705 CG LYS A 111 0.007 -7.684 11.625 1.00 0.00 C ATOM 706 CD LYS A 111 1.311 -8.432 11.844 1.00 0.00 C ATOM 707 CE LYS A 111 1.503 -9.533 10.812 1.00 0.00 C ATOM 708 NZ LYS A 111 2.884 -10.089 10.844 1.00 0.00 N ATOM 0 H LYS A 111 -0.391 -3.912 11.883 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.198 -6.237 11.941 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.677 -6.089 12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.462 -7.178 13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.820 -8.393 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.031 -7.186 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.146 -7.733 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.320 -8.864 12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.785 -10.332 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.293 -9.139 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.974 -10.836 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.568 -9.332 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.076 -10.488 11.785 1.00 0.00 H new ATOM 722 N ASP A 112 -2.665 -5.810 14.454 1.00 0.00 N ATOM 723 CA ASP A 112 -3.215 -5.320 15.713 1.00 0.00 C ATOM 724 C ASP A 112 -2.142 -5.283 16.797 1.00 0.00 C ATOM 725 O ASP A 112 -1.481 -6.285 17.064 1.00 0.00 O ATOM 726 CB ASP A 112 -4.381 -6.202 16.162 1.00 0.00 C ATOM 727 CG ASP A 112 -4.842 -5.880 17.571 1.00 0.00 C ATOM 728 OD1 ASP A 112 -4.833 -4.687 17.939 1.00 0.00 O ATOM 729 OD2 ASP A 112 -5.209 -6.821 18.305 1.00 0.00 O ATOM 0 H ASP A 112 -2.929 -6.768 14.223 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.578 -4.305 15.552 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.215 -6.075 15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.081 -7.249 16.111 1.00 0.00 H new ATOM 734 N MET A 113 -1.975 -4.119 17.417 1.00 0.00 N ATOM 735 CA MET A 113 -0.983 -3.952 18.472 1.00 0.00 C ATOM 736 C MET A 113 -1.458 -4.592 19.773 1.00 0.00 C ATOM 737 O MET A 113 -0.744 -4.586 20.775 1.00 0.00 O ATOM 738 CB MET A 113 -0.693 -2.467 18.698 1.00 0.00 C ATOM 739 CG MET A 113 -1.896 -1.681 19.194 1.00 0.00 C ATOM 740 SD MET A 113 -1.659 0.102 19.073 1.00 0.00 S ATOM 741 CE MET A 113 -2.166 0.397 17.380 1.00 0.00 C ATOM 0 H MET A 113 -2.513 -3.279 17.207 1.00 0.00 H new ATOM 0 HA MET A 113 -0.067 -4.451 18.156 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.117 -2.369 19.420 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.342 -2.028 17.764 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.775 -1.967 18.616 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.096 -1.947 20.232 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.075 1.459 17.153 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.529 -0.174 16.705 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.203 0.086 17.251 1.00 0.00 H new ATOM 751 N ALA A 114 -2.666 -5.144 19.748 1.00 0.00 N ATOM 752 CA ALA A 114 -3.235 -5.790 20.924 1.00 0.00 C ATOM 753 C ALA A 114 -3.014 -7.299 20.883 1.00 0.00 C ATOM 754 O ALA A 114 -2.724 -7.923 21.905 1.00 0.00 O ATOM 755 CB ALA A 114 -4.720 -5.476 21.033 1.00 0.00 C ATOM 0 H ALA A 114 -3.270 -5.157 18.926 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.726 -5.398 21.804 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.131 -5.965 21.916 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.859 -4.398 21.117 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.235 -5.839 20.144 1.00 0.00 H new ATOM 761 N THR A 115 -3.153 -7.880 19.696 1.00 0.00 N ATOM 762 CA THR A 115 -2.970 -9.316 19.522 1.00 0.00 C ATOM 763 C THR A 115 -1.839 -9.612 18.544 1.00 0.00 C ATOM 764 O THR A 115 -1.120 -10.599 18.691 1.00 0.00 O ATOM 765 CB THR A 115 -4.260 -9.989 19.017 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.517 -9.602 17.662 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.446 -9.611 19.891 1.00 0.00 C ATOM 0 H THR A 115 -3.392 -7.378 18.840 1.00 0.00 H new ATOM 0 HA THR A 115 -2.716 -9.723 20.501 1.00 0.00 H new ATOM 0 HB THR A 115 -4.123 -11.069 19.066 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.781 -8.658 17.636 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.345 -10.098 19.515 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.260 -9.933 20.916 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.583 -8.530 19.870 1.00 0.00 H new ATOM 775 N GLY A 116 -1.687 -8.749 17.544 1.00 0.00 N ATOM 776 CA GLY A 116 -0.640 -8.935 16.556 1.00 0.00 C ATOM 777 C GLY A 116 -1.124 -9.692 15.334 1.00 0.00 C ATOM 778 O GLY A 116 -0.333 -10.318 14.628 1.00 0.00 O ATOM 0 H GLY A 116 -2.270 -7.925 17.400 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.257 -7.962 16.249 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.191 -9.476 17.009 1.00 0.00 H new ATOM 782 N LYS A 117 -2.428 -9.638 15.085 1.00 0.00 N ATOM 783 CA LYS A 117 -3.018 -10.324 13.941 1.00 0.00 C ATOM 784 C LYS A 117 -3.117 -9.390 12.739 1.00 0.00 C ATOM 785 O LYS A 117 -3.246 -8.175 12.893 1.00 0.00 O ATOM 786 CB LYS A 117 -4.406 -10.858 14.301 1.00 0.00 C ATOM 787 CG LYS A 117 -4.402 -11.809 15.486 1.00 0.00 C ATOM 788 CD LYS A 117 -3.899 -13.188 15.092 1.00 0.00 C ATOM 789 CE LYS A 117 -4.084 -14.192 16.220 1.00 0.00 C ATOM 790 NZ LYS A 117 -3.072 -15.283 16.163 1.00 0.00 N ATOM 0 H LYS A 117 -3.097 -9.126 15.660 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.371 -11.160 13.677 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.064 -10.017 14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.825 -11.371 13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.772 -11.403 16.277 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.410 -11.891 15.892 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.433 -13.532 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.844 -13.129 14.825 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.011 -13.679 17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.084 -14.621 16.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.232 -15.946 16.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.158 -15.790 15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.118 -14.876 16.242 1.00 0.00 H new ATOM 804 N SER A 118 -3.058 -9.965 11.542 1.00 0.00 N ATOM 805 CA SER A 118 -3.139 -9.184 10.314 1.00 0.00 C ATOM 806 C SER A 118 -4.370 -8.282 10.324 1.00 0.00 C ATOM 807 O SER A 118 -5.505 -8.759 10.289 1.00 0.00 O ATOM 808 CB SER A 118 -3.182 -10.110 9.097 1.00 0.00 C ATOM 809 OG SER A 118 -1.876 -10.390 8.623 1.00 0.00 O ATOM 0 H SER A 118 -2.954 -10.969 11.397 1.00 0.00 H new ATOM 0 HA SER A 118 -2.250 -8.556 10.253 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.684 -11.041 9.362 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.769 -9.646 8.304 1.00 0.00 H new ATOM 0 HG SER A 118 -1.930 -10.985 7.846 1.00 0.00 H new ATOM 815 N LYS A 119 -4.138 -6.975 10.372 1.00 0.00 N ATOM 816 CA LYS A 119 -5.225 -6.004 10.385 1.00 0.00 C ATOM 817 C LYS A 119 -6.037 -6.078 9.096 1.00 0.00 C ATOM 818 O LYS A 119 -7.261 -5.953 9.113 1.00 0.00 O ATOM 819 CB LYS A 119 -4.671 -4.589 10.571 1.00 0.00 C ATOM 820 CG LYS A 119 -4.531 -4.177 12.026 1.00 0.00 C ATOM 821 CD LYS A 119 -5.794 -3.506 12.539 1.00 0.00 C ATOM 822 CE LYS A 119 -5.655 -3.098 13.998 1.00 0.00 C ATOM 823 NZ LYS A 119 -6.949 -2.634 14.570 1.00 0.00 N ATOM 0 H LYS A 119 -3.205 -6.563 10.403 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.882 -6.243 11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.696 -4.523 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.327 -3.882 10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.311 -5.055 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.687 -3.496 12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.012 -2.626 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.639 -4.186 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.284 -3.943 14.578 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.914 -2.303 14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.812 -2.365 15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.291 -1.812 14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.649 -3.401 14.512 1.00 0.00 H new ATOM 837 N GLY A 120 -5.347 -6.284 7.978 1.00 0.00 N ATOM 838 CA GLY A 120 -6.021 -6.372 6.696 1.00 0.00 C ATOM 839 C GLY A 120 -5.394 -5.474 5.648 1.00 0.00 C ATOM 840 O GLY A 120 -5.265 -5.859 4.486 1.00 0.00 O ATOM 0 H GLY A 120 -4.333 -6.391 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.997 -7.404 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.070 -6.102 6.821 1.00 0.00 H new ATOM 844 N TYR A 121 -5.005 -4.272 6.059 1.00 0.00 N ATOM 845 CA TYR A 121 -4.392 -3.314 5.146 1.00 0.00 C ATOM 846 C TYR A 121 -2.874 -3.309 5.300 1.00 0.00 C ATOM 847 O TYR A 121 -2.344 -3.662 6.352 1.00 0.00 O ATOM 848 CB TYR A 121 -4.946 -1.911 5.399 1.00 0.00 C ATOM 849 CG TYR A 121 -5.074 -1.565 6.865 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.115 -2.076 7.631 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.154 -0.729 7.485 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.236 -1.763 8.971 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.267 -0.411 8.825 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.310 -0.930 9.563 1.00 0.00 C ATOM 855 OH TYR A 121 -5.426 -0.616 10.898 1.00 0.00 O ATOM 0 H TYR A 121 -5.103 -3.938 7.018 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.635 -3.615 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.296 -1.181 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.925 -1.826 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.842 -2.729 7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.336 -0.321 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.051 -2.168 9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.543 0.240 9.292 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.693 -0.020 11.159 1.00 0.00 H new ATOM 865 N GLY A 122 -2.180 -2.905 4.240 1.00 0.00 N ATOM 866 CA GLY A 122 -0.730 -2.860 4.277 1.00 0.00 C ATOM 867 C GLY A 122 -0.173 -1.600 3.645 1.00 0.00 C ATOM 868 O GLY A 122 -0.898 -0.853 2.987 1.00 0.00 O ATOM 0 H GLY A 122 -2.596 -2.608 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.394 -2.923 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.329 -3.731 3.758 1.00 0.00 H new ATOM 872 N PHE A 123 1.119 -1.360 3.847 1.00 0.00 N ATOM 873 CA PHE A 123 1.773 -0.180 3.294 1.00 0.00 C ATOM 874 C PHE A 123 2.870 -0.576 2.311 1.00 0.00 C ATOM 875 O PHE A 123 3.590 -1.551 2.526 1.00 0.00 O ATOM 876 CB PHE A 123 2.364 0.675 4.418 1.00 0.00 C ATOM 877 CG PHE A 123 1.325 1.328 5.283 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.632 2.442 4.836 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.042 0.830 6.545 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.325 3.045 5.630 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.086 1.429 7.343 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.598 2.539 6.886 1.00 0.00 C ATOM 0 H PHE A 123 1.733 -1.967 4.390 1.00 0.00 H new ATOM 0 HA PHE A 123 1.023 0.403 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 123 3.004 0.050 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.999 1.446 3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.842 2.844 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.575 -0.036 6.909 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.859 3.911 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -0.126 1.030 8.324 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.344 3.010 7.509 1.00 0.00 H new ATOM 892 N VAL A 124 2.990 0.188 1.229 1.00 0.00 N ATOM 893 CA VAL A 124 3.999 -0.082 0.211 1.00 0.00 C ATOM 894 C VAL A 124 4.589 1.213 -0.335 1.00 0.00 C ATOM 895 O VAL A 124 3.896 1.999 -0.981 1.00 0.00 O ATOM 896 CB VAL A 124 3.415 -0.899 -0.956 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.467 -1.124 -2.031 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.862 -2.225 -0.454 1.00 0.00 C ATOM 0 H VAL A 124 2.401 0.998 1.035 1.00 0.00 H new ATOM 0 HA VAL A 124 4.786 -0.662 0.692 1.00 0.00 H new ATOM 0 HB VAL A 124 2.595 -0.333 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.035 -1.703 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.811 -0.162 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.310 -1.668 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.453 -2.789 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.662 -2.799 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.074 -2.038 0.276 1.00 0.00 H new ATOM 908 N SER A 125 5.874 1.429 -0.071 1.00 0.00 N ATOM 909 CA SER A 125 6.557 2.632 -0.533 1.00 0.00 C ATOM 910 C SER A 125 7.492 2.312 -1.697 1.00 0.00 C ATOM 911 O SER A 125 8.125 1.257 -1.727 1.00 0.00 O ATOM 912 CB SER A 125 7.349 3.266 0.612 1.00 0.00 C ATOM 913 OG SER A 125 8.008 4.445 0.184 1.00 0.00 O ATOM 0 H SER A 125 6.463 0.787 0.460 1.00 0.00 H new ATOM 0 HA SER A 125 5.803 3.339 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.677 3.501 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.082 2.553 0.990 1.00 0.00 H new ATOM 0 HG SER A 125 7.437 4.927 -0.450 1.00 0.00 H new ATOM 919 N PHE A 126 7.571 3.232 -2.653 1.00 0.00 N ATOM 920 CA PHE A 126 8.427 3.049 -3.819 1.00 0.00 C ATOM 921 C PHE A 126 9.484 4.147 -3.896 1.00 0.00 C ATOM 922 O PHE A 126 9.322 5.222 -3.317 1.00 0.00 O ATOM 923 CB PHE A 126 7.587 3.044 -5.098 1.00 0.00 C ATOM 924 CG PHE A 126 6.475 2.035 -5.081 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.460 2.119 -4.142 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.444 1.002 -6.004 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.436 1.191 -4.123 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.423 0.071 -5.991 1.00 0.00 C ATOM 929 CZ PHE A 126 4.416 0.166 -5.049 1.00 0.00 C ATOM 0 H PHE A 126 7.053 4.111 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 126 8.933 2.089 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.164 4.037 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.237 2.842 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.469 2.919 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.228 0.924 -6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.652 1.267 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.412 -0.730 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.616 -0.559 -5.037 1.00 0.00 H new ATOM 939 N PHE A 127 10.566 3.869 -4.615 1.00 0.00 N ATOM 940 CA PHE A 127 11.651 4.832 -4.767 1.00 0.00 C ATOM 941 C PHE A 127 11.193 6.045 -5.572 1.00 0.00 C ATOM 942 O PHE A 127 11.514 7.183 -5.234 1.00 0.00 O ATOM 943 CB PHE A 127 12.851 4.175 -5.452 1.00 0.00 C ATOM 944 CG PHE A 127 13.511 3.114 -4.618 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.725 3.312 -3.264 1.00 0.00 C ATOM 946 CD2 PHE A 127 13.915 1.918 -5.188 1.00 0.00 C ATOM 947 CE1 PHE A 127 14.332 2.338 -2.494 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.522 0.939 -4.424 1.00 0.00 C ATOM 949 CZ PHE A 127 14.730 1.149 -3.075 1.00 0.00 C ATOM 0 H PHE A 127 10.715 2.985 -5.102 1.00 0.00 H new ATOM 0 HA PHE A 127 11.947 5.168 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.525 3.735 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.585 4.943 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.414 4.239 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.754 1.748 -6.242 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.495 2.506 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.833 0.011 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.203 0.385 -2.475 1.00 0.00 H new ATOM 959 N ASN A 128 10.442 5.791 -6.638 1.00 0.00 N ATOM 960 CA ASN A 128 9.940 6.861 -7.492 1.00 0.00 C ATOM 961 C ASN A 128 8.430 7.015 -7.341 1.00 0.00 C ATOM 962 O ASN A 128 7.760 6.153 -6.772 1.00 0.00 O ATOM 963 CB ASN A 128 10.292 6.582 -8.955 1.00 0.00 C ATOM 964 CG ASN A 128 11.743 6.177 -9.133 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.653 6.980 -8.929 1.00 0.00 O ATOM 966 ND2 ASN A 128 11.964 4.925 -9.517 1.00 0.00 N ATOM 0 H ASN A 128 10.167 4.853 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 128 10.415 7.792 -7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.647 5.790 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.090 7.472 -9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 128 12.919 4.595 -9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.178 4.294 -9.675 1.00 0.00 H new ATOM 973 N LYS A 129 7.899 8.119 -7.856 1.00 0.00 N ATOM 974 CA LYS A 129 6.467 8.387 -7.782 1.00 0.00 C ATOM 975 C LYS A 129 5.702 7.541 -8.795 1.00 0.00 C ATOM 976 O LYS A 129 4.661 6.966 -8.476 1.00 0.00 O ATOM 977 CB LYS A 129 6.192 9.871 -8.029 1.00 0.00 C ATOM 978 CG LYS A 129 4.714 10.208 -8.124 1.00 0.00 C ATOM 979 CD LYS A 129 4.475 11.705 -8.018 1.00 0.00 C ATOM 980 CE LYS A 129 2.990 12.032 -7.989 1.00 0.00 C ATOM 981 NZ LYS A 129 2.725 13.445 -8.378 1.00 0.00 N ATOM 0 H LYS A 129 8.439 8.843 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 129 6.124 8.122 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.638 10.454 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.685 10.175 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.316 9.841 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.171 9.695 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.950 12.087 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.943 12.210 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.458 11.363 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.598 11.851 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.702 13.628 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.212 14.084 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.076 13.611 -9.343 1.00 0.00 H new ATOM 995 N TRP A 130 6.225 7.469 -10.013 1.00 0.00 N ATOM 996 CA TRP A 130 5.591 6.692 -11.072 1.00 0.00 C ATOM 997 C TRP A 130 5.367 5.250 -10.630 1.00 0.00 C ATOM 998 O TRP A 130 4.235 4.768 -10.602 1.00 0.00 O ATOM 999 CB TRP A 130 6.448 6.723 -12.339 1.00 0.00 C ATOM 1000 CG TRP A 130 7.390 7.888 -12.390 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.754 7.840 -12.367 1.00 0.00 C ATOM 1002 CD2 TRP A 130 7.036 9.273 -12.473 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.270 9.112 -12.429 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.237 10.009 -12.496 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.822 9.963 -12.532 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.256 11.399 -12.574 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.843 11.342 -12.608 1.00 0.00 C ATOM 1008 CH2 TRP A 130 7.053 12.048 -12.630 1.00 0.00 C ATOM 0 H TRP A 130 7.086 7.939 -10.292 1.00 0.00 H new ATOM 0 HA TRP A 130 4.621 7.141 -11.287 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.021 5.798 -12.404 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.794 6.755 -13.211 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.341 6.935 -12.309 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.262 9.350 -12.426 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.884 9.428 -12.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.187 11.945 -12.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.911 11.885 -12.651 1.00 0.00 H new ATOM 0 HH2 TRP A 130 7.036 13.126 -12.692 1.00 0.00 H new ATOM 1019 N ASP A 131 6.453 4.567 -10.285 1.00 0.00 N ATOM 1020 CA ASP A 131 6.374 3.180 -9.842 1.00 0.00 C ATOM 1021 C ASP A 131 5.108 2.941 -9.025 1.00 0.00 C ATOM 1022 O ASP A 131 4.304 2.067 -9.349 1.00 0.00 O ATOM 1023 CB ASP A 131 7.607 2.816 -9.013 1.00 0.00 C ATOM 1024 CG ASP A 131 8.852 2.664 -9.865 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.714 2.391 -11.076 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.965 2.820 -9.320 1.00 0.00 O ATOM 0 H ASP A 131 7.398 4.951 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 131 6.339 2.544 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.776 3.587 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.420 1.885 -8.478 1.00 0.00 H new ATOM 1031 N ALA A 132 4.939 3.722 -7.963 1.00 0.00 N ATOM 1032 CA ALA A 132 3.771 3.596 -7.100 1.00 0.00 C ATOM 1033 C ALA A 132 2.489 3.919 -7.861 1.00 0.00 C ATOM 1034 O ALA A 132 1.638 3.051 -8.055 1.00 0.00 O ATOM 1035 CB ALA A 132 3.910 4.505 -5.888 1.00 0.00 C ATOM 0 H ALA A 132 5.596 4.449 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 132 3.711 2.562 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.031 4.401 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.800 4.226 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.999 5.540 -6.218 1.00 0.00 H new ATOM 1041 N GLU A 133 2.359 5.171 -8.288 1.00 0.00 N ATOM 1042 CA GLU A 133 1.179 5.606 -9.026 1.00 0.00 C ATOM 1043 C GLU A 133 0.692 4.510 -9.969 1.00 0.00 C ATOM 1044 O GLU A 133 -0.445 4.052 -9.871 1.00 0.00 O ATOM 1045 CB GLU A 133 1.487 6.878 -9.820 1.00 0.00 C ATOM 1046 CG GLU A 133 1.280 8.156 -9.025 1.00 0.00 C ATOM 1047 CD GLU A 133 -0.132 8.695 -9.144 1.00 0.00 C ATOM 1048 OE1 GLU A 133 -1.063 7.882 -9.327 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.307 9.928 -9.055 1.00 0.00 O ATOM 0 H GLU A 133 3.055 5.901 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 133 0.389 5.818 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.520 6.839 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.854 6.905 -10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.505 7.967 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.984 8.913 -9.371 1.00 0.00 H new ATOM 1056 N ASN A 134 1.562 4.095 -10.884 1.00 0.00 N ATOM 1057 CA ASN A 134 1.222 3.054 -11.846 1.00 0.00 C ATOM 1058 C ASN A 134 0.462 1.916 -11.171 1.00 0.00 C ATOM 1059 O ASN A 134 -0.581 1.478 -11.657 1.00 0.00 O ATOM 1060 CB ASN A 134 2.488 2.511 -12.512 1.00 0.00 C ATOM 1061 CG ASN A 134 2.188 1.738 -13.782 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.104 1.859 -14.354 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.148 0.937 -14.228 1.00 0.00 N ATOM 0 H ASN A 134 2.508 4.464 -10.979 1.00 0.00 H new ATOM 0 HA ASN A 134 0.579 3.495 -12.608 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.157 3.340 -12.744 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.014 1.863 -11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.003 0.391 -15.077 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.031 0.868 -13.722 1.00 0.00 H new ATOM 1070 N ALA A 135 0.991 1.444 -10.047 1.00 0.00 N ATOM 1071 CA ALA A 135 0.362 0.360 -9.303 1.00 0.00 C ATOM 1072 C ALA A 135 -0.998 0.785 -8.758 1.00 0.00 C ATOM 1073 O ALA A 135 -2.014 0.146 -9.033 1.00 0.00 O ATOM 1074 CB ALA A 135 1.268 -0.098 -8.169 1.00 0.00 C ATOM 0 H ALA A 135 1.854 1.795 -9.632 1.00 0.00 H new ATOM 0 HA ALA A 135 0.206 -0.474 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.785 -0.908 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.214 -0.451 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.454 0.736 -7.493 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.008 1.865 -7.984 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.243 2.374 -7.401 1.00 0.00 C ATOM 1082 C ILE A 136 -3.404 2.255 -8.382 1.00 0.00 C ATOM 1083 O ILE A 136 -4.543 2.012 -7.984 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.098 3.846 -6.972 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.032 3.979 -5.881 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.432 4.390 -6.484 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.625 5.409 -5.606 1.00 0.00 C ATOM 0 H ILE A 136 -0.175 2.404 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.450 1.766 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.783 4.431 -7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.408 3.533 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.151 3.409 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.313 5.431 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.167 4.325 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.774 3.804 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 136 0.133 5.427 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.218 5.853 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.496 5.979 -5.282 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.107 2.426 -9.667 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.126 2.337 -10.705 1.00 0.00 C ATOM 1101 C GLN A 137 -4.322 0.892 -11.152 1.00 0.00 C ATOM 1102 O GLN A 137 -5.415 0.339 -11.033 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.742 3.206 -11.903 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.375 4.633 -11.527 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.548 5.323 -12.594 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.491 4.658 -13.046 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.855 6.442 -13.006 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.169 2.627 -10.013 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.065 2.700 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.899 2.747 -12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.574 3.227 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.287 5.205 -11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.819 4.626 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.676 6.916 -12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -2.288 6.895 -13.723 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.257 0.287 -11.667 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.313 -1.094 -12.133 1.00 0.00 C ATOM 1118 C GLN A 138 -3.610 -2.046 -10.979 1.00 0.00 C ATOM 1119 O GLN A 138 -4.594 -2.784 -11.009 1.00 0.00 O ATOM 1120 CB GLN A 138 -1.995 -1.482 -12.804 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.570 -0.528 -13.909 1.00 0.00 C ATOM 1122 CD GLN A 138 -0.689 -1.193 -14.948 1.00 0.00 C ATOM 1123 OE1 GLN A 138 0.599 -0.871 -14.925 1.00 0.00 O flip ATOM 1124 NE2 GLN A 138 -1.161 -1.987 -15.763 1.00 0.00 N flip ATOM 0 H GLN A 138 -2.345 0.731 -11.772 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.120 -1.173 -12.862 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.210 -1.522 -12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.090 -2.486 -13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -2.457 -0.124 -14.396 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -1.035 0.315 -13.470 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -2.157 -2.205 -15.744 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -0.556 -2.426 -16.457 1.00 0.00 H new ATOM 1133 N MET A 139 -2.752 -2.023 -9.964 1.00 0.00 N ATOM 1134 CA MET A 139 -2.923 -2.884 -8.800 1.00 0.00 C ATOM 1135 C MET A 139 -4.303 -2.692 -8.180 1.00 0.00 C ATOM 1136 O MET A 139 -4.904 -3.638 -7.672 1.00 0.00 O ATOM 1137 CB MET A 139 -1.839 -2.594 -7.761 1.00 0.00 C ATOM 1138 CG MET A 139 -0.469 -3.127 -8.147 1.00 0.00 C ATOM 1139 SD MET A 139 -0.480 -4.900 -8.475 1.00 0.00 S ATOM 1140 CE MET A 139 -1.476 -5.491 -7.108 1.00 0.00 C ATOM 0 H MET A 139 -1.932 -1.418 -9.924 1.00 0.00 H new ATOM 0 HA MET A 139 -2.833 -3.919 -9.129 1.00 0.00 H new ATOM 0 HB2 MET A 139 -1.771 -1.517 -7.610 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.135 -3.032 -6.808 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.115 -2.600 -9.033 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.238 -2.914 -7.345 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.401 -6.577 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 139 -1.118 -5.048 -6.179 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.517 -5.208 -7.267 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.801 -1.459 -8.224 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.106 -1.166 -7.662 1.00 0.00 C ATOM 1152 C GLY A 140 -7.216 -1.951 -8.334 1.00 0.00 C ATOM 1153 O GLY A 140 -7.461 -1.794 -9.529 1.00 0.00 O ATOM 0 H GLY A 140 -4.324 -0.659 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.098 -1.393 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.309 -0.100 -7.759 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.889 -2.799 -7.563 1.00 0.00 N ATOM 1158 CA GLY A 141 -8.969 -3.600 -8.108 1.00 0.00 C ATOM 1159 C GLY A 141 -8.499 -4.959 -8.588 1.00 0.00 C ATOM 1160 O GLY A 141 -9.230 -5.666 -9.281 1.00 0.00 O ATOM 0 H GLY A 141 -7.706 -2.946 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.738 -3.733 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.431 -3.065 -8.938 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.275 -5.323 -8.221 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.707 -6.605 -8.622 1.00 0.00 C ATOM 1166 C GLN A 142 -6.933 -7.661 -7.545 1.00 0.00 C ATOM 1167 O GLN A 142 -7.374 -7.348 -6.439 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.211 -6.459 -8.903 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.903 -5.666 -10.164 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.142 -6.467 -11.429 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -4.213 -7.038 -12.000 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -6.392 -6.513 -11.874 1.00 0.00 N ATOM 0 H GLN A 142 -6.658 -4.749 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.211 -6.927 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.736 -5.971 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.768 -7.451 -8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.521 -4.768 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.864 -5.337 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -7.131 -6.025 -11.369 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -6.613 -7.037 -12.721 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.628 -8.910 -7.875 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.799 -10.013 -6.935 1.00 0.00 C ATOM 1183 C TRP A 143 -5.452 -10.485 -6.401 1.00 0.00 C ATOM 1184 O TRP A 143 -4.665 -11.096 -7.125 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.531 -11.175 -7.609 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.017 -10.993 -7.658 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.702 -10.020 -8.330 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.002 -11.803 -7.007 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -11.053 -10.177 -8.136 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.264 -11.264 -7.329 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -9.942 -12.932 -6.186 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.451 -11.816 -6.857 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.122 -13.478 -5.718 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.363 -12.921 -6.055 1.00 0.00 C ATOM 0 H TRP A 143 -6.261 -9.185 -8.786 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.396 -9.655 -6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.153 -11.293 -8.625 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.303 -12.097 -7.075 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.248 -9.242 -8.926 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.781 -9.581 -8.529 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -8.991 -13.370 -5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.408 -11.387 -7.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.087 -14.350 -5.081 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.267 -13.373 -5.674 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.192 -10.200 -5.129 1.00 0.00 N ATOM 1206 CA LEU A 144 -3.938 -10.596 -4.497 1.00 0.00 C ATOM 1207 C LEU A 144 -4.140 -11.820 -3.609 1.00 0.00 C ATOM 1208 O LEU A 144 -5.032 -11.845 -2.762 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.373 -9.440 -3.671 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.066 -9.721 -2.929 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -0.956 -10.059 -3.912 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.674 -8.529 -2.068 1.00 0.00 C ATOM 0 H LEU A 144 -5.833 -9.696 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.228 -10.853 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.215 -8.589 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.125 -9.140 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.219 -10.580 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.034 -10.256 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.234 -10.944 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.803 -9.220 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.742 -8.747 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.540 -7.652 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.460 -8.333 -1.338 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.303 -12.834 -3.807 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.404 -14.046 -3.016 1.00 0.00 C ATOM 1226 C GLY A 145 -4.655 -14.841 -3.332 1.00 0.00 C ATOM 1227 O GLY A 145 -4.592 -15.867 -4.008 1.00 0.00 O ATOM 0 H GLY A 145 -2.556 -12.837 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.527 -14.668 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.400 -13.787 -1.957 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.796 -14.369 -2.839 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.050 -15.057 -3.082 1.00 0.00 C ATOM 1233 C GLY A 146 -8.250 -14.142 -2.940 1.00 0.00 C ATOM 1234 O GLY A 146 -9.385 -14.607 -2.829 1.00 0.00 O ATOM 0 H GLY A 146 -5.874 -13.522 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.039 -15.483 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.146 -15.888 -2.384 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.001 -12.836 -2.942 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.070 -11.854 -2.810 1.00 0.00 C ATOM 1240 C ARG A 147 -8.654 -10.514 -3.410 1.00 0.00 C ATOM 1241 O ARG A 147 -7.466 -10.238 -3.572 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.444 -11.671 -1.338 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.491 -12.658 -0.848 1.00 0.00 C ATOM 1244 CD ARG A 147 -10.812 -12.446 0.623 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.765 -11.358 0.824 1.00 0.00 N ATOM 1246 CZ ARG A 147 -11.411 -10.082 0.939 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -10.132 -9.737 0.873 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -12.337 -9.149 1.121 1.00 0.00 N ATOM 0 H ARG A 147 -7.068 -12.434 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 147 -9.938 -12.223 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.546 -11.774 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.815 -10.657 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.400 -12.549 -1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.132 -13.676 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -11.219 -13.366 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -9.893 -12.228 1.167 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.757 -11.590 0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -9.418 -10.452 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -9.863 -8.757 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.321 -9.411 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -12.064 -8.170 1.209 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.641 -9.687 -3.738 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.377 -8.377 -4.322 1.00 0.00 C ATOM 1264 C GLN A 148 -8.629 -7.483 -3.338 1.00 0.00 C ATOM 1265 O GLN A 148 -8.520 -7.802 -2.154 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.688 -7.708 -4.742 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.138 -8.079 -6.146 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.169 -7.116 -6.701 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.291 -7.034 -6.201 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -11.793 -6.381 -7.741 1.00 0.00 N ATOM 0 H GLN A 148 -10.630 -9.900 -3.610 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.752 -8.520 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.470 -7.983 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.570 -6.626 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.272 -8.099 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.555 -9.086 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -10.853 -6.482 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.444 -5.716 -8.157 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.115 -6.364 -3.837 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.378 -5.424 -3.001 1.00 0.00 C ATOM 1281 C ILE A 149 -7.705 -3.982 -3.375 1.00 0.00 C ATOM 1282 O ILE A 149 -7.941 -3.672 -4.542 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.857 -5.641 -3.117 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.376 -5.287 -4.525 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.500 -7.079 -2.774 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.872 -5.162 -4.636 1.00 0.00 C ATOM 0 H ILE A 149 -8.195 -6.086 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.686 -5.608 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.355 -4.984 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.721 -6.051 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.834 -4.347 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.422 -7.217 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.813 -7.298 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.008 -7.754 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.603 -4.910 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.522 -4.378 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.407 -6.109 -4.361 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.714 -3.105 -2.376 1.00 0.00 N ATOM 1299 CA ARG A 150 -8.011 -1.696 -2.600 1.00 0.00 C ATOM 1300 C ARG A 150 -6.749 -0.848 -2.475 1.00 0.00 C ATOM 1301 O ARG A 150 -6.210 -0.674 -1.381 1.00 0.00 O ATOM 1302 CB ARG A 150 -9.066 -1.210 -1.604 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.640 -1.348 -0.151 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.835 -1.590 0.758 1.00 0.00 C ATOM 1305 NE ARG A 150 -9.591 -1.119 2.119 1.00 0.00 N ATOM 1306 CZ ARG A 150 -10.558 -0.775 2.962 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.827 -0.849 2.585 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -10.257 -0.356 4.184 1.00 0.00 N ATOM 0 H ARG A 150 -7.519 -3.346 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.401 -1.589 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.293 -0.164 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.987 -1.773 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.934 -2.173 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -8.119 -0.444 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -10.709 -1.083 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -10.065 -2.655 0.779 1.00 0.00 H new ATOM 0 HE ARG A 150 -8.625 -1.051 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -12.062 -1.171 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.568 -0.584 3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -9.282 -0.298 4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -11.001 -0.092 4.830 1.00 0.00 H new ATOM 1322 N THR A 151 -6.280 -0.322 -3.603 1.00 0.00 N ATOM 1323 CA THR A 151 -5.081 0.506 -3.620 1.00 0.00 C ATOM 1324 C THR A 151 -5.435 1.982 -3.760 1.00 0.00 C ATOM 1325 O THR A 151 -6.299 2.351 -4.554 1.00 0.00 O ATOM 1326 CB THR A 151 -4.138 0.104 -4.769 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.743 0.410 -6.030 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.809 -1.380 -4.705 1.00 0.00 C ATOM 0 H THR A 151 -6.713 -0.455 -4.517 1.00 0.00 H new ATOM 0 HA THR A 151 -4.572 0.346 -2.670 1.00 0.00 H new ATOM 0 HB THR A 151 -3.212 0.670 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.500 1.321 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 151 -3.142 -1.640 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.321 -1.604 -3.756 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.728 -1.960 -4.786 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.759 2.824 -2.984 1.00 0.00 N ATOM 1337 CA ASN A 152 -5.002 4.261 -3.022 1.00 0.00 C ATOM 1338 C ASN A 152 -3.897 5.020 -2.293 1.00 0.00 C ATOM 1339 O ASN A 152 -2.996 4.415 -1.711 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.359 4.587 -2.394 1.00 0.00 C ATOM 1341 CG ASN A 152 -7.517 4.246 -3.312 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -8.205 3.244 -3.117 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -7.738 5.082 -4.321 1.00 0.00 N ATOM 0 H ASN A 152 -4.039 2.535 -2.322 1.00 0.00 H new ATOM 0 HA ASN A 152 -5.007 4.575 -4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.465 4.037 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.396 5.648 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -8.503 4.905 -4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -7.142 5.901 -4.445 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.974 6.345 -2.329 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.980 7.186 -1.671 1.00 0.00 C ATOM 1352 C TRP A 153 -3.114 7.102 -0.154 1.00 0.00 C ATOM 1353 O TRP A 153 -4.133 7.498 0.411 1.00 0.00 O ATOM 1354 CB TRP A 153 -3.128 8.638 -2.128 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.492 8.909 -3.458 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -3.072 9.514 -4.536 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -1.154 8.583 -3.851 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.176 9.583 -5.575 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.992 9.020 -5.180 1.00 0.00 C ATOM 1360 CE3 TRP A 153 -0.077 7.966 -3.208 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.203 8.858 -5.876 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.108 7.806 -3.901 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.241 8.251 -5.223 1.00 0.00 C ATOM 0 H TRP A 153 -4.714 6.860 -2.806 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.991 6.823 -1.951 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -4.187 8.888 -2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.683 9.294 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -4.086 9.884 -4.567 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.363 9.988 -6.492 1.00 0.00 H new ATOM 0 HE3 TRP A 153 -0.169 7.621 -2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.307 9.199 -6.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 1.946 7.329 -3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.181 8.112 -5.736 1.00 0.00 H new