USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 35 GLN : amide:sc= -1.25 X(o=-1.1,f=-1.3) USER MOD Set 1.2: A 37 TYR OH : rot -167:sc= 0.136 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -174:sc= 0.0368 (180deg=0) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.275 K(o=-0.24,f=-1.7!) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0044 (180deg=-0.311) USER MOD Single : A 11 MET CE :methyl -165:sc= -3.1! (180deg=-3.75!) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc=-0.00265 (180deg=-0.517) USER MOD Single : A 17 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.9!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc=-0.00793 X(o=-0.0079,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.31 K(o=-0.31,f=-3.8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.67) USER MOD Single : A 50 CYS SG : rot 24:sc= 0.919 USER MOD Single : A 51 MET CE :methyl 173:sc= -0.262 (180deg=-0.586) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 93:sc= -1.92! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= -0.274 (180deg=-2.5!) USER MOD Single : A 89 SER OG : rot -29:sc= 0.149 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -149:sc= -9.28! (180deg=-10.2!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : A 100 MET CE :methyl -130:sc= -0.605 (180deg=-1.9!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.184 8.791 9.743 1.00 0.00 N ATOM 81 CA ILE A 9 -7.529 8.254 9.628 1.00 0.00 C ATOM 82 C ILE A 9 -7.488 6.739 9.834 1.00 0.00 C ATOM 83 O ILE A 9 -8.111 6.218 10.758 1.00 0.00 O ATOM 84 CB ILE A 9 -8.163 8.678 8.301 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.726 10.097 8.391 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.221 7.668 7.853 1.00 0.00 C ATOM 87 CD1 ILE A 9 -9.105 10.626 7.006 1.00 0.00 C ATOM 0 HA ILE A 9 -8.171 8.664 10.407 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.385 8.689 7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.602 10.104 9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.988 10.757 8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.656 7.992 6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.758 6.690 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.003 7.601 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.503 11.637 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.221 10.641 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.861 9.978 6.563 1.00 0.00 H new ATOM 99 N LYS A 10 -6.750 6.074 8.958 1.00 0.00 N ATOM 100 CA LYS A 10 -6.620 4.629 9.032 1.00 0.00 C ATOM 101 C LYS A 10 -5.137 4.256 9.069 1.00 0.00 C ATOM 102 O LYS A 10 -4.367 4.670 8.204 1.00 0.00 O ATOM 103 CB LYS A 10 -7.394 3.962 7.893 1.00 0.00 C ATOM 104 CG LYS A 10 -7.954 2.607 8.330 1.00 0.00 C ATOM 105 CD LYS A 10 -7.170 1.458 7.691 1.00 0.00 C ATOM 106 CE LYS A 10 -7.875 0.120 7.921 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.241 -0.036 9.347 1.00 0.00 N ATOM 0 H LYS A 10 -6.235 6.510 8.193 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.067 4.253 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.210 4.611 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.738 3.828 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.908 2.524 9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.005 2.536 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.062 1.637 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.165 1.421 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.770 0.063 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.223 -0.698 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.497 -1.027 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.432 0.230 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.051 0.578 9.567 1.00 0.00 H new ATOM 121 N MET A 11 -4.780 3.477 10.080 1.00 0.00 N ATOM 122 CA MET A 11 -3.403 3.043 10.241 1.00 0.00 C ATOM 123 C MET A 11 -3.324 1.527 10.427 1.00 0.00 C ATOM 124 O MET A 11 -4.216 0.923 11.021 1.00 0.00 O ATOM 125 CB MET A 11 -2.786 3.740 11.455 1.00 0.00 C ATOM 126 CG MET A 11 -3.072 5.243 11.429 1.00 0.00 C ATOM 127 SD MET A 11 -4.016 5.711 12.870 1.00 0.00 S ATOM 128 CE MET A 11 -5.631 5.900 12.135 1.00 0.00 C ATOM 0 H MET A 11 -5.421 3.135 10.796 1.00 0.00 H new ATOM 0 HA MET A 11 -2.851 3.308 9.340 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.187 3.306 12.371 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.709 3.571 11.467 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.135 5.799 11.402 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.622 5.501 10.524 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.282 6.440 12.822 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.543 6.458 11.203 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.055 4.917 11.931 1.00 0.00 H new ATOM 138 N GLY A 12 -2.247 0.954 9.909 1.00 0.00 N ATOM 139 CA GLY A 12 -2.040 -0.481 10.012 1.00 0.00 C ATOM 140 C GLY A 12 -0.778 -0.907 9.258 1.00 0.00 C ATOM 141 O GLY A 12 0.148 -0.115 9.092 1.00 0.00 O ATOM 0 H GLY A 12 -1.509 1.457 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.955 -0.766 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.905 -1.007 9.608 1.00 0.00 H new ATOM 145 N TRP A 13 -0.782 -2.159 8.823 1.00 0.00 N ATOM 146 CA TRP A 13 0.350 -2.700 8.091 1.00 0.00 C ATOM 147 C TRP A 13 -0.159 -3.206 6.740 1.00 0.00 C ATOM 148 O TRP A 13 -1.339 -3.521 6.595 1.00 0.00 O ATOM 149 CB TRP A 13 1.062 -3.783 8.905 1.00 0.00 C ATOM 150 CG TRP A 13 1.954 -3.236 10.021 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.601 -2.459 11.054 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.372 -3.459 10.176 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.682 -2.166 11.860 1.00 0.00 N ATOM 154 CE2 TRP A 13 3.793 -2.793 11.309 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.268 -4.199 9.385 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.121 -2.801 11.752 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.591 -4.197 9.842 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.032 -3.531 10.980 1.00 0.00 C ATOM 0 H TRP A 13 -1.551 -2.814 8.964 1.00 0.00 H new ATOM 0 HA TRP A 13 1.099 -1.928 7.914 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.315 -4.445 9.343 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.669 -4.389 8.232 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.596 -2.106 11.233 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.668 -1.594 12.705 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.960 -4.727 8.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.426 -2.272 12.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.320 -4.752 9.271 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.072 -3.577 11.267 1.00 0.00 H new ATOM 169 N LEU A 14 0.757 -3.268 5.784 1.00 0.00 N ATOM 170 CA LEU A 14 0.416 -3.730 4.450 1.00 0.00 C ATOM 171 C LEU A 14 1.673 -4.272 3.766 1.00 0.00 C ATOM 172 O LEU A 14 2.752 -3.696 3.896 1.00 0.00 O ATOM 173 CB LEU A 14 -0.283 -2.621 3.661 1.00 0.00 C ATOM 174 CG LEU A 14 -1.812 -2.664 3.654 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.395 -1.361 3.104 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.323 -3.888 2.892 1.00 0.00 C ATOM 0 H LEU A 14 1.735 -3.006 5.908 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.299 -4.551 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.032 -1.660 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.066 -2.661 2.629 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.155 -2.760 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.483 -1.418 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.072 -0.527 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.045 -1.208 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.413 -3.894 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.970 -3.848 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.950 -4.795 3.368 1.00 0.00 H new ATOM 188 N LYS A 15 1.491 -5.374 3.052 1.00 0.00 N ATOM 189 CA LYS A 15 2.597 -6.000 2.348 1.00 0.00 C ATOM 190 C LYS A 15 2.832 -5.270 1.024 1.00 0.00 C ATOM 191 O LYS A 15 2.022 -5.369 0.104 1.00 0.00 O ATOM 192 CB LYS A 15 2.348 -7.501 2.186 1.00 0.00 C ATOM 193 CG LYS A 15 3.261 -8.311 3.109 1.00 0.00 C ATOM 194 CD LYS A 15 3.004 -9.811 2.956 1.00 0.00 C ATOM 195 CE LYS A 15 4.278 -10.615 3.223 1.00 0.00 C ATOM 196 NZ LYS A 15 4.162 -11.363 4.495 1.00 0.00 N ATOM 0 H LYS A 15 0.594 -5.849 2.946 1.00 0.00 H new ATOM 0 HA LYS A 15 3.516 -5.913 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.305 -7.727 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.521 -7.792 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.304 -8.092 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.094 -8.014 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.222 -10.122 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.641 -10.021 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.456 -11.309 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.136 -9.944 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.070 -11.821 4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.913 -10.707 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.421 -12.087 4.405 1.00 0.00 H new ATOM 210 N LYS A 16 3.945 -4.552 0.970 1.00 0.00 N ATOM 211 CA LYS A 16 4.296 -3.806 -0.226 1.00 0.00 C ATOM 212 C LYS A 16 5.362 -4.576 -1.008 1.00 0.00 C ATOM 213 O LYS A 16 6.418 -4.904 -0.468 1.00 0.00 O ATOM 214 CB LYS A 16 4.711 -2.378 0.137 1.00 0.00 C ATOM 215 CG LYS A 16 5.177 -1.611 -1.103 1.00 0.00 C ATOM 216 CD LYS A 16 5.916 -0.331 -0.710 1.00 0.00 C ATOM 217 CE LYS A 16 5.904 0.683 -1.856 1.00 0.00 C ATOM 218 NZ LYS A 16 6.071 -0.003 -3.156 1.00 0.00 N ATOM 0 H LYS A 16 4.615 -4.471 1.735 1.00 0.00 H new ATOM 0 HA LYS A 16 3.430 -3.706 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.871 -1.857 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.513 -2.405 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.832 -2.244 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.318 -1.362 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.449 0.107 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.945 -0.569 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.966 1.238 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.705 1.409 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.413 0.676 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.761 -0.775 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.157 -0.393 -3.462 1.00 0.00 H new ATOM 232 N GLN A 17 5.049 -4.843 -2.267 1.00 0.00 N ATOM 233 CA GLN A 17 5.966 -5.569 -3.129 1.00 0.00 C ATOM 234 C GLN A 17 7.283 -4.802 -3.267 1.00 0.00 C ATOM 235 O GLN A 17 7.287 -3.574 -3.332 1.00 0.00 O ATOM 236 CB GLN A 17 5.339 -5.833 -4.499 1.00 0.00 C ATOM 237 CG GLN A 17 5.893 -7.118 -5.117 1.00 0.00 C ATOM 238 CD GLN A 17 4.896 -7.723 -6.109 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.508 -7.110 -7.090 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.506 -8.956 -5.800 1.00 0.00 N ATOM 0 H GLN A 17 4.173 -4.569 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 17 6.177 -6.535 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.256 -5.911 -4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.538 -4.991 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.834 -6.905 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.112 -7.840 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.870 -9.411 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.843 -9.446 -6.400 1.00 0.00 H new ATOM 341 N ASN A 23 9.000 -10.078 -4.106 1.00 0.00 N ATOM 342 CA ASN A 23 8.823 -10.445 -2.712 1.00 0.00 C ATOM 343 C ASN A 23 8.010 -9.361 -2.002 1.00 0.00 C ATOM 344 O ASN A 23 8.264 -8.171 -2.184 1.00 0.00 O ATOM 345 CB ASN A 23 10.171 -10.568 -1.999 1.00 0.00 C ATOM 346 CG ASN A 23 10.697 -12.003 -2.064 1.00 0.00 C ATOM 347 OD1 ASN A 23 11.475 -12.368 -2.931 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.232 -12.794 -1.102 1.00 0.00 N ATOM 0 HA ASN A 23 8.309 -11.406 -2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.892 -9.892 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.065 -10.263 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.524 -13.770 -1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.583 -12.425 -0.407 1.00 0.00 H new ATOM 355 N TRP A 24 7.050 -9.810 -1.208 1.00 0.00 N ATOM 356 CA TRP A 24 6.198 -8.893 -0.470 1.00 0.00 C ATOM 357 C TRP A 24 6.887 -8.573 0.858 1.00 0.00 C ATOM 358 O TRP A 24 7.384 -9.471 1.536 1.00 0.00 O ATOM 359 CB TRP A 24 4.794 -9.473 -0.290 1.00 0.00 C ATOM 360 CG TRP A 24 4.097 -9.834 -1.603 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.289 -10.917 -2.369 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.081 -9.061 -2.278 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.475 -10.899 -3.484 1.00 0.00 N ATOM 364 CE2 TRP A 24 2.718 -9.735 -3.427 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.490 -7.835 -1.930 1.00 0.00 C ATOM 366 CZ2 TRP A 24 1.749 -9.260 -4.320 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.524 -7.374 -2.833 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.147 -8.040 -3.993 1.00 0.00 C ATOM 0 H TRP A 24 6.843 -10.798 -1.059 1.00 0.00 H new ATOM 0 HA TRP A 24 6.060 -7.964 -1.024 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.858 -10.365 0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.180 -8.751 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.992 -11.705 -2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.436 -11.609 -4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.759 -7.291 -1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.481 -9.806 -5.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.038 -6.435 -2.612 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.392 -7.617 -4.640 1.00 0.00 H new ATOM 379 N GLN A 25 6.894 -7.290 1.190 1.00 0.00 N ATOM 380 CA GLN A 25 7.514 -6.841 2.425 1.00 0.00 C ATOM 381 C GLN A 25 6.471 -6.190 3.336 1.00 0.00 C ATOM 382 O GLN A 25 5.857 -5.190 2.968 1.00 0.00 O ATOM 383 CB GLN A 25 8.670 -5.879 2.141 1.00 0.00 C ATOM 384 CG GLN A 25 9.646 -5.831 3.318 1.00 0.00 C ATOM 385 CD GLN A 25 11.022 -6.360 2.911 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.473 -7.401 3.359 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.663 -5.588 2.038 1.00 0.00 N ATOM 0 H GLN A 25 6.480 -6.548 0.626 1.00 0.00 H new ATOM 0 HA GLN A 25 7.926 -7.710 2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.197 -6.194 1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.278 -4.880 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.738 -4.806 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.254 -6.424 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.229 -4.728 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.589 -5.856 1.704 1.00 0.00 H new ATOM 396 N GLN A 26 6.303 -6.785 4.509 1.00 0.00 N ATOM 397 CA GLN A 26 5.345 -6.275 5.475 1.00 0.00 C ATOM 398 C GLN A 26 5.824 -4.938 6.043 1.00 0.00 C ATOM 399 O GLN A 26 6.789 -4.892 6.804 1.00 0.00 O ATOM 400 CB GLN A 26 5.102 -7.291 6.594 1.00 0.00 C ATOM 401 CG GLN A 26 3.739 -7.066 7.251 1.00 0.00 C ATOM 402 CD GLN A 26 2.902 -8.347 7.229 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.411 -9.450 7.118 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.593 -8.140 7.341 1.00 0.00 N ATOM 0 H GLN A 26 6.814 -7.614 4.811 1.00 0.00 H new ATOM 0 HA GLN A 26 4.396 -6.111 4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.153 -8.302 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.889 -7.208 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.878 -6.735 8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.207 -6.270 6.730 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.233 -7.190 7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.949 -8.931 7.337 1.00 0.00 H new ATOM 413 N ARG A 27 5.126 -3.881 5.652 1.00 0.00 N ATOM 414 CA ARG A 27 5.468 -2.547 6.112 1.00 0.00 C ATOM 415 C ARG A 27 4.258 -1.888 6.777 1.00 0.00 C ATOM 416 O ARG A 27 3.174 -2.469 6.815 1.00 0.00 O ATOM 417 CB ARG A 27 5.945 -1.669 4.953 1.00 0.00 C ATOM 418 CG ARG A 27 7.324 -2.113 4.461 1.00 0.00 C ATOM 419 CD ARG A 27 8.413 -1.149 4.935 1.00 0.00 C ATOM 420 NE ARG A 27 9.649 -1.353 4.147 1.00 0.00 N ATOM 421 CZ ARG A 27 10.510 -2.359 4.348 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.276 -3.259 5.312 1.00 0.00 N ATOM 423 NH2 ARG A 27 11.606 -2.466 3.584 1.00 0.00 N ATOM 0 H ARG A 27 4.325 -3.923 5.022 1.00 0.00 H new ATOM 0 HA ARG A 27 6.277 -2.644 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.228 -1.721 4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.987 -0.628 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.538 -3.117 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.327 -2.163 3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.070 -0.120 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.616 -1.310 5.994 1.00 0.00 H new ATOM 0 HE ARG A 27 9.858 -0.686 3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.442 -3.178 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.932 -4.025 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.784 -1.781 2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.262 -3.232 3.737 1.00 0.00 H new ATOM 437 N TYR A 28 4.483 -0.684 7.283 1.00 0.00 N ATOM 438 CA TYR A 28 3.424 0.059 7.944 1.00 0.00 C ATOM 439 C TYR A 28 2.822 1.108 7.006 1.00 0.00 C ATOM 440 O TYR A 28 3.552 1.844 6.344 1.00 0.00 O ATOM 441 CB TYR A 28 4.082 0.769 9.128 1.00 0.00 C ATOM 442 CG TYR A 28 3.166 0.936 10.342 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.890 1.434 10.180 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.617 0.587 11.599 1.00 0.00 C ATOM 445 CE1 TYR A 28 1.028 1.591 11.323 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.755 0.743 12.742 1.00 0.00 C ATOM 447 CZ TYR A 28 1.503 1.238 12.548 1.00 0.00 C ATOM 448 OH TYR A 28 0.689 1.385 13.627 1.00 0.00 O ATOM 0 H TYR A 28 5.383 -0.205 7.248 1.00 0.00 H new ATOM 0 HA TYR A 28 2.621 -0.610 8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.967 0.208 9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.422 1.753 8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.537 1.706 9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.616 0.197 11.725 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.027 1.980 11.210 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.095 0.473 13.731 1.00 0.00 H new ATOM 0 HH TYR A 28 1.160 1.092 14.435 1.00 0.00 H new ATOM 458 N PHE A 29 1.498 1.142 6.980 1.00 0.00 N ATOM 459 CA PHE A 29 0.791 2.088 6.134 1.00 0.00 C ATOM 460 C PHE A 29 -0.204 2.916 6.950 1.00 0.00 C ATOM 461 O PHE A 29 -0.969 2.369 7.743 1.00 0.00 O ATOM 462 CB PHE A 29 0.023 1.271 5.093 1.00 0.00 C ATOM 463 CG PHE A 29 0.827 0.962 3.828 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.727 -0.058 3.827 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.641 1.706 2.706 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.473 -0.344 2.653 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.387 1.419 1.532 1.00 0.00 C ATOM 468 CZ PHE A 29 2.287 0.400 1.531 1.00 0.00 C ATOM 0 H PHE A 29 0.896 0.530 7.531 1.00 0.00 H new ATOM 0 HA PHE A 29 1.500 2.774 5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.297 0.333 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.880 1.814 4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.874 -0.650 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.074 2.515 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.188 -1.153 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.239 2.010 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.854 0.182 0.638 1.00 0.00 H new ATOM 478 N VAL A 30 -0.162 4.221 6.728 1.00 0.00 N ATOM 479 CA VAL A 30 -1.050 5.130 7.433 1.00 0.00 C ATOM 480 C VAL A 30 -1.771 6.020 6.419 1.00 0.00 C ATOM 481 O VAL A 30 -1.187 6.421 5.413 1.00 0.00 O ATOM 482 CB VAL A 30 -0.263 5.927 8.475 1.00 0.00 C ATOM 483 CG1 VAL A 30 -1.084 7.108 8.996 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.192 5.026 9.625 1.00 0.00 C ATOM 0 H VAL A 30 0.474 4.671 6.069 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.813 4.573 7.977 1.00 0.00 H new ATOM 0 HB VAL A 30 0.628 6.326 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.502 7.658 9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.336 7.770 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.000 6.739 9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.749 5.617 10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.680 4.584 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.831 4.234 9.235 1.00 0.00 H new ATOM 494 N LEU A 31 -3.030 6.304 6.719 1.00 0.00 N ATOM 495 CA LEU A 31 -3.837 7.140 5.846 1.00 0.00 C ATOM 496 C LEU A 31 -4.248 8.407 6.598 1.00 0.00 C ATOM 497 O LEU A 31 -5.017 8.343 7.556 1.00 0.00 O ATOM 498 CB LEU A 31 -5.019 6.346 5.287 1.00 0.00 C ATOM 499 CG LEU A 31 -5.232 6.434 3.774 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.751 5.108 3.215 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.149 7.606 3.417 1.00 0.00 C ATOM 0 H LEU A 31 -3.511 5.970 7.554 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.257 7.457 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.886 5.298 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.928 6.688 5.782 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.268 6.625 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.894 5.198 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.028 4.319 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.702 4.861 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.284 7.646 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.117 7.470 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.700 8.537 3.761 1.00 0.00 H new ATOM 513 N ARG A 32 -3.718 9.530 6.135 1.00 0.00 N ATOM 514 CA ARG A 32 -4.020 10.810 6.751 1.00 0.00 C ATOM 515 C ARG A 32 -5.187 11.485 6.029 1.00 0.00 C ATOM 516 O ARG A 32 -6.297 11.543 6.555 1.00 0.00 O ATOM 517 CB ARG A 32 -2.804 11.738 6.718 1.00 0.00 C ATOM 518 CG ARG A 32 -2.593 12.415 8.074 1.00 0.00 C ATOM 519 CD ARG A 32 -1.493 11.713 8.873 1.00 0.00 C ATOM 520 NE ARG A 32 -0.746 12.702 9.682 1.00 0.00 N ATOM 521 CZ ARG A 32 0.422 12.448 10.288 1.00 0.00 C ATOM 522 NH1 ARG A 32 0.982 11.235 10.180 1.00 0.00 N ATOM 523 NH2 ARG A 32 1.029 13.406 11.001 1.00 0.00 N ATOM 0 H ARG A 32 -3.081 9.579 5.340 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.291 10.622 7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.914 11.168 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.941 12.496 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.327 13.461 7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.524 12.401 8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.931 10.956 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.813 11.197 8.195 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.145 13.635 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.519 10.506 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.871 11.041 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.602 14.329 11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.918 13.213 11.462 1.00 0.00 H new ATOM 537 N ALA A 33 -4.897 11.978 4.834 1.00 0.00 N ATOM 538 CA ALA A 33 -5.909 12.647 4.034 1.00 0.00 C ATOM 539 C ALA A 33 -5.327 12.982 2.659 1.00 0.00 C ATOM 540 O ALA A 33 -4.245 13.561 2.564 1.00 0.00 O ATOM 541 CB ALA A 33 -6.407 13.889 4.775 1.00 0.00 C ATOM 0 H ALA A 33 -3.975 11.928 4.400 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.768 11.995 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.166 14.391 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.838 13.594 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.573 14.569 4.947 1.00 0.00 H new ATOM 547 N GLN A 34 -6.070 12.605 1.629 1.00 0.00 N ATOM 548 CA GLN A 34 -5.640 12.858 0.264 1.00 0.00 C ATOM 549 C GLN A 34 -4.146 12.565 0.114 1.00 0.00 C ATOM 550 O GLN A 34 -3.466 13.192 -0.696 1.00 0.00 O ATOM 551 CB GLN A 34 -5.962 14.295 -0.153 1.00 0.00 C ATOM 552 CG GLN A 34 -7.459 14.466 -0.419 1.00 0.00 C ATOM 553 CD GLN A 34 -7.756 15.845 -1.012 1.00 0.00 C ATOM 554 OE1 GLN A 34 -7.274 16.211 -2.072 1.00 0.00 O ATOM 555 NE2 GLN A 34 -8.574 16.588 -0.272 1.00 0.00 N ATOM 0 H GLN A 34 -6.967 12.126 1.712 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.189 12.189 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.647 14.984 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.398 14.552 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.801 13.690 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.014 14.338 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.942 16.221 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.833 17.525 -0.582 1.00 0.00 H new ATOM 564 N GLN A 35 -3.680 11.613 0.908 1.00 0.00 N ATOM 565 CA GLN A 35 -2.279 11.229 0.874 1.00 0.00 C ATOM 566 C GLN A 35 -2.080 9.883 1.574 1.00 0.00 C ATOM 567 O GLN A 35 -2.641 9.647 2.644 1.00 0.00 O ATOM 568 CB GLN A 35 -1.399 12.310 1.504 1.00 0.00 C ATOM 569 CG GLN A 35 -0.917 13.308 0.450 1.00 0.00 C ATOM 570 CD GLN A 35 0.421 13.930 0.854 1.00 0.00 C ATOM 571 OE1 GLN A 35 0.486 14.927 1.553 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.483 13.286 0.376 1.00 0.00 N ATOM 0 H GLN A 35 -4.248 11.096 1.579 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.977 11.122 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.959 12.835 2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.541 11.847 1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.813 12.805 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.662 14.093 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.358 12.456 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.422 13.622 0.590 1.00 0.00 H new ATOM 581 N LEU A 36 -1.280 9.036 0.943 1.00 0.00 N ATOM 582 CA LEU A 36 -1.001 7.720 1.492 1.00 0.00 C ATOM 583 C LEU A 36 0.452 7.670 1.970 1.00 0.00 C ATOM 584 O LEU A 36 1.373 7.917 1.194 1.00 0.00 O ATOM 585 CB LEU A 36 -1.352 6.631 0.477 1.00 0.00 C ATOM 586 CG LEU A 36 -1.205 5.188 0.965 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.261 4.848 1.240 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.092 4.928 2.184 1.00 0.00 C ATOM 0 H LEU A 36 -0.816 9.236 0.057 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.630 7.528 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.382 6.781 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.720 6.763 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.546 4.523 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.337 3.817 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.840 4.967 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.652 5.517 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.968 3.895 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.806 5.601 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.135 5.102 1.919 1.00 0.00 H new ATOM 600 N TYR A 37 0.611 7.349 3.246 1.00 0.00 N ATOM 601 CA TYR A 37 1.935 7.264 3.837 1.00 0.00 C ATOM 602 C TYR A 37 2.231 5.841 4.316 1.00 0.00 C ATOM 603 O TYR A 37 1.313 5.056 4.544 1.00 0.00 O ATOM 604 CB TYR A 37 1.920 8.203 5.044 1.00 0.00 C ATOM 605 CG TYR A 37 1.438 9.620 4.725 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.094 9.925 4.802 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.346 10.592 4.359 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.360 11.258 4.501 1.00 0.00 C ATOM 609 CE2 TYR A 37 1.892 11.925 4.058 1.00 0.00 C ATOM 610 CZ TYR A 37 0.561 12.192 4.144 1.00 0.00 C ATOM 611 OH TYR A 37 0.132 13.451 3.860 1.00 0.00 O ATOM 0 H TYR A 37 -0.156 7.145 3.887 1.00 0.00 H new ATOM 0 HA TYR A 37 2.699 7.534 3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.278 7.777 5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.926 8.258 5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.617 9.164 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.398 10.353 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.409 11.510 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.592 12.695 3.771 1.00 0.00 H new ATOM 0 HH TYR A 37 0.854 13.952 3.426 1.00 0.00 H new ATOM 621 N TYR A 38 3.517 5.553 4.454 1.00 0.00 N ATOM 622 CA TYR A 38 3.945 4.239 4.902 1.00 0.00 C ATOM 623 C TYR A 38 5.336 4.303 5.538 1.00 0.00 C ATOM 624 O TYR A 38 6.265 4.858 4.954 1.00 0.00 O ATOM 625 CB TYR A 38 4.011 3.366 3.647 1.00 0.00 C ATOM 626 CG TYR A 38 5.409 3.265 3.033 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.272 2.268 3.442 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.807 4.169 2.070 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.587 2.172 2.864 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.122 4.073 1.491 1.00 0.00 C ATOM 631 CZ TYR A 38 7.947 3.080 1.917 1.00 0.00 C ATOM 632 OH TYR A 38 9.190 2.989 1.371 1.00 0.00 O ATOM 0 H TYR A 38 4.276 6.207 4.263 1.00 0.00 H new ATOM 0 HA TYR A 38 3.256 3.845 5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.661 2.364 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.326 3.768 2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.961 1.560 4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.132 4.949 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.272 1.397 3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.445 4.774 0.736 1.00 0.00 H new ATOM 0 HH TYR A 38 9.309 3.701 0.708 1.00 0.00 H new ATOM 642 N TYR A 39 5.434 3.726 6.727 1.00 0.00 N ATOM 643 CA TYR A 39 6.695 3.710 7.449 1.00 0.00 C ATOM 644 C TYR A 39 7.345 2.327 7.387 1.00 0.00 C ATOM 645 O TYR A 39 6.651 1.312 7.343 1.00 0.00 O ATOM 646 CB TYR A 39 6.352 4.035 8.904 1.00 0.00 C ATOM 647 CG TYR A 39 5.780 5.438 9.111 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.443 5.681 8.868 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.600 6.462 9.540 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.904 7.002 9.062 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.061 7.783 9.734 1.00 0.00 C ATOM 652 CZ TYR A 39 4.740 7.988 9.485 1.00 0.00 C ATOM 653 OH TYR A 39 4.231 9.236 9.669 1.00 0.00 O ATOM 0 H TYR A 39 4.661 3.266 7.208 1.00 0.00 H new ATOM 0 HA TYR A 39 7.395 4.424 7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.632 3.303 9.269 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.251 3.927 9.511 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.801 4.880 8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.646 6.272 9.730 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.860 7.205 8.876 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.692 8.593 10.070 1.00 0.00 H new ATOM 0 HH TYR A 39 4.942 9.838 9.973 1.00 0.00 H new ATOM 789 N GLN A 48 7.992 7.507 4.642 1.00 0.00 N ATOM 790 CA GLN A 48 8.909 7.165 3.567 1.00 0.00 C ATOM 791 C GLN A 48 8.386 7.701 2.233 1.00 0.00 C ATOM 792 O GLN A 48 8.927 8.664 1.692 1.00 0.00 O ATOM 793 CB GLN A 48 9.135 5.654 3.500 1.00 0.00 C ATOM 794 CG GLN A 48 10.125 5.199 4.575 1.00 0.00 C ATOM 795 CD GLN A 48 11.527 5.744 4.295 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.925 6.787 4.786 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.250 4.982 3.479 1.00 0.00 N ATOM 0 HA GLN A 48 9.871 7.634 3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.186 5.135 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.513 5.383 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.787 5.540 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.154 4.110 4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.855 4.120 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.199 5.260 3.229 1.00 0.00 H new ATOM 806 N GLY A 49 7.340 7.054 1.741 1.00 0.00 N ATOM 807 CA GLY A 49 6.738 7.453 0.480 1.00 0.00 C ATOM 808 C GLY A 49 5.439 8.227 0.713 1.00 0.00 C ATOM 809 O GLY A 49 4.957 8.312 1.842 1.00 0.00 O ATOM 0 H GLY A 49 6.894 6.256 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.438 8.071 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.536 6.570 -0.126 1.00 0.00 H new ATOM 813 N CYS A 50 4.908 8.771 -0.372 1.00 0.00 N ATOM 814 CA CYS A 50 3.674 9.534 -0.300 1.00 0.00 C ATOM 815 C CYS A 50 2.944 9.395 -1.637 1.00 0.00 C ATOM 816 O CYS A 50 3.463 9.799 -2.677 1.00 0.00 O ATOM 817 CB CYS A 50 3.935 10.999 0.058 1.00 0.00 C ATOM 818 SG CYS A 50 4.832 11.826 -1.306 1.00 0.00 S ATOM 0 H CYS A 50 5.310 8.698 -1.306 1.00 0.00 H new ATOM 0 HA CYS A 50 3.046 9.139 0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.991 11.510 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.518 11.059 0.977 1.00 0.00 H new ATOM 0 HG CYS A 50 4.610 11.192 -2.419 1.00 0.00 H new ATOM 824 N MET A 51 1.752 8.821 -1.567 1.00 0.00 N ATOM 825 CA MET A 51 0.945 8.624 -2.759 1.00 0.00 C ATOM 826 C MET A 51 -0.317 9.488 -2.717 1.00 0.00 C ATOM 827 O MET A 51 -1.106 9.397 -1.778 1.00 0.00 O ATOM 828 CB MET A 51 0.550 7.150 -2.870 1.00 0.00 C ATOM 829 CG MET A 51 0.531 6.696 -4.331 1.00 0.00 C ATOM 830 SD MET A 51 2.164 6.175 -4.830 1.00 0.00 S ATOM 831 CE MET A 51 1.742 5.069 -6.166 1.00 0.00 C ATOM 0 H MET A 51 1.326 8.486 -0.703 1.00 0.00 H new ATOM 0 HA MET A 51 1.535 8.918 -3.627 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.253 6.538 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.434 6.999 -2.426 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.176 5.875 -4.456 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.189 7.511 -4.969 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.652 4.748 -6.674 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.223 4.198 -5.767 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.094 5.585 -6.874 1.00 0.00 H new ATOM 841 N TYR A 52 -0.467 10.309 -3.747 1.00 0.00 N ATOM 842 CA TYR A 52 -1.620 11.189 -3.840 1.00 0.00 C ATOM 843 C TYR A 52 -2.889 10.399 -4.163 1.00 0.00 C ATOM 844 O TYR A 52 -3.052 9.910 -5.281 1.00 0.00 O ATOM 845 CB TYR A 52 -1.324 12.151 -4.992 1.00 0.00 C ATOM 846 CG TYR A 52 -1.898 13.555 -4.794 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.826 14.161 -3.556 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.487 14.215 -5.853 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.367 15.483 -3.369 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.028 15.537 -5.666 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.941 16.106 -4.434 1.00 0.00 C ATOM 852 OH TYR A 52 -3.451 17.354 -4.257 1.00 0.00 O ATOM 0 H TYR A 52 0.190 10.383 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.785 11.707 -2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.244 12.226 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.727 11.732 -5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.364 13.644 -2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.542 13.741 -6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.318 15.969 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.492 16.064 -6.486 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.828 17.676 -5.102 1.00 0.00 H new ATOM 862 N LEU A 53 -3.755 10.298 -3.166 1.00 0.00 N ATOM 863 CA LEU A 53 -5.005 9.575 -3.331 1.00 0.00 C ATOM 864 C LEU A 53 -5.814 10.215 -4.461 1.00 0.00 C ATOM 865 O LEU A 53 -6.385 9.513 -5.294 1.00 0.00 O ATOM 866 CB LEU A 53 -5.759 9.499 -2.002 1.00 0.00 C ATOM 867 CG LEU A 53 -5.010 8.840 -0.842 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.955 8.543 0.323 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.266 7.588 -1.311 1.00 0.00 C ATOM 0 H LEU A 53 -3.616 10.705 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.812 8.542 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.032 10.511 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.688 8.953 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.260 9.542 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.397 8.075 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.399 9.473 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.744 7.869 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.742 7.139 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.980 6.872 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.546 7.860 -2.082 1.00 0.00 H new ATOM 881 N PRO A 54 -5.837 11.574 -4.453 1.00 0.00 N ATOM 882 CA PRO A 54 -6.566 12.316 -5.468 1.00 0.00 C ATOM 883 C PRO A 54 -5.817 12.302 -6.802 1.00 0.00 C ATOM 884 O PRO A 54 -5.494 13.356 -7.348 1.00 0.00 O ATOM 885 CB PRO A 54 -6.728 13.714 -4.892 1.00 0.00 C ATOM 886 CG PRO A 54 -5.688 13.834 -3.790 1.00 0.00 C ATOM 887 CD PRO A 54 -5.171 12.438 -3.482 1.00 0.00 C ATOM 0 HA PRO A 54 -7.538 11.877 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.573 14.473 -5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.734 13.860 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.871 14.483 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.126 14.284 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.087 12.386 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.410 12.144 -2.460 1.00 0.00 H new ATOM 895 N GLY A 55 -5.563 11.096 -7.289 1.00 0.00 N ATOM 896 CA GLY A 55 -4.859 10.931 -8.549 1.00 0.00 C ATOM 897 C GLY A 55 -4.120 9.592 -8.592 1.00 0.00 C ATOM 898 O GLY A 55 -2.969 9.528 -9.021 1.00 0.00 O ATOM 0 H GLY A 55 -5.832 10.224 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.567 10.986 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.149 11.747 -8.683 1.00 0.00 H new ATOM 902 N CYS A 56 -4.812 8.556 -8.141 1.00 0.00 N ATOM 903 CA CYS A 56 -4.235 7.222 -8.123 1.00 0.00 C ATOM 904 C CYS A 56 -5.290 6.236 -8.631 1.00 0.00 C ATOM 905 O CYS A 56 -6.453 6.598 -8.799 1.00 0.00 O ATOM 906 CB CYS A 56 -3.725 6.845 -6.731 1.00 0.00 C ATOM 907 SG CYS A 56 -1.995 7.404 -6.526 1.00 0.00 S ATOM 0 H CYS A 56 -5.766 8.613 -7.785 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.364 7.191 -8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.356 7.301 -5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.786 5.766 -6.592 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.982 8.586 -5.984 1.00 0.00 H new ATOM 913 N THR A 57 -4.844 5.010 -8.861 1.00 0.00 N ATOM 914 CA THR A 57 -5.735 3.970 -9.347 1.00 0.00 C ATOM 915 C THR A 57 -5.587 2.704 -8.500 1.00 0.00 C ATOM 916 O THR A 57 -4.556 2.035 -8.552 1.00 0.00 O ATOM 917 CB THR A 57 -5.437 3.747 -10.831 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.026 4.872 -11.476 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.195 2.549 -11.407 1.00 0.00 C ATOM 0 H THR A 57 -3.878 4.713 -8.720 1.00 0.00 H new ATOM 0 HA THR A 57 -6.779 4.267 -9.252 1.00 0.00 H new ATOM 0 HB THR A 57 -4.366 3.599 -10.968 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.878 4.809 -12.443 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.948 2.435 -12.462 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.910 1.645 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.268 2.712 -11.301 1.00 0.00 H new ATOM 927 N ILE A 58 -6.633 2.413 -7.741 1.00 0.00 N ATOM 928 CA ILE A 58 -6.633 1.239 -6.885 1.00 0.00 C ATOM 929 C ILE A 58 -7.194 0.046 -7.662 1.00 0.00 C ATOM 930 O ILE A 58 -8.406 -0.071 -7.837 1.00 0.00 O ATOM 931 CB ILE A 58 -7.377 1.527 -5.579 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.614 2.544 -4.727 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.661 0.234 -4.813 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.391 3.857 -4.615 1.00 0.00 C ATOM 0 H ILE A 58 -7.487 2.970 -7.701 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.615 0.980 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.341 1.972 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.441 2.134 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.635 2.733 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.190 0.467 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.275 -0.425 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.720 -0.263 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.827 4.562 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.541 4.277 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.359 3.668 -4.151 1.00 0.00 H new ATOM 946 N LYS A 59 -6.286 -0.810 -8.107 1.00 0.00 N ATOM 947 CA LYS A 59 -6.675 -1.989 -8.861 1.00 0.00 C ATOM 948 C LYS A 59 -6.487 -3.232 -7.989 1.00 0.00 C ATOM 949 O LYS A 59 -5.601 -3.268 -7.136 1.00 0.00 O ATOM 950 CB LYS A 59 -5.918 -2.050 -10.189 1.00 0.00 C ATOM 951 CG LYS A 59 -6.508 -1.066 -11.202 1.00 0.00 C ATOM 952 CD LYS A 59 -5.402 -0.374 -12.001 1.00 0.00 C ATOM 953 CE LYS A 59 -4.671 -1.370 -12.903 1.00 0.00 C ATOM 954 NZ LYS A 59 -3.958 -0.660 -13.988 1.00 0.00 N ATOM 0 H LYS A 59 -5.282 -0.710 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.732 -1.941 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.866 -1.819 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.963 -3.062 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.176 -1.595 -11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.108 -0.319 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.831 0.424 -12.607 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.692 0.092 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.962 -1.951 -12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.385 -2.075 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.257 -1.042 -14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.182 0.355 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.933 -0.793 -13.875 1.00 0.00 H new ATOM 968 N GLU A 60 -7.335 -4.221 -8.232 1.00 0.00 N ATOM 969 CA GLU A 60 -7.273 -5.462 -7.479 1.00 0.00 C ATOM 970 C GLU A 60 -6.430 -6.495 -8.228 1.00 0.00 C ATOM 971 O GLU A 60 -6.705 -6.805 -9.386 1.00 0.00 O ATOM 972 CB GLU A 60 -8.677 -6.001 -7.195 1.00 0.00 C ATOM 973 CG GLU A 60 -9.400 -5.132 -6.164 1.00 0.00 C ATOM 974 CD GLU A 60 -10.868 -5.543 -6.034 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.645 -5.164 -6.937 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.180 -6.227 -5.036 1.00 0.00 O ATOM 0 H GLU A 60 -8.069 -4.188 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.796 -5.260 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.253 -6.030 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.610 -7.026 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.906 -5.222 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.337 -4.084 -6.458 1.00 0.00 H new ATOM 983 N ILE A 61 -5.419 -7.001 -7.536 1.00 0.00 N ATOM 984 CA ILE A 61 -4.533 -7.993 -8.121 1.00 0.00 C ATOM 985 C ILE A 61 -4.877 -9.373 -7.557 1.00 0.00 C ATOM 986 O ILE A 61 -5.297 -9.490 -6.407 1.00 0.00 O ATOM 987 CB ILE A 61 -3.071 -7.592 -7.918 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.851 -6.121 -8.276 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.135 -8.517 -8.699 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.879 -5.915 -9.792 1.00 0.00 C ATOM 0 H ILE A 61 -5.194 -6.742 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.678 -8.044 -9.200 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.830 -7.706 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.623 -5.510 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.894 -5.785 -7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.102 -8.210 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.267 -9.543 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.369 -8.458 -9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.720 -4.861 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.090 -6.509 -10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.846 -6.229 -10.184 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.811 -11.316 -2.087 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.958 -9.992 -1.506 1.00 0.00 C ATOM 1125 C PHE A 71 -5.703 -9.148 -1.739 1.00 0.00 C ATOM 1126 O PHE A 71 -5.010 -8.784 -0.790 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.157 -10.184 -0.001 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.274 -11.166 0.358 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.422 -11.187 -0.371 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -8.119 -12.017 1.407 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.458 -12.098 -0.037 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -9.156 -12.929 1.741 1.00 0.00 C ATOM 1133 CZ PHE A 71 -10.303 -12.950 1.012 1.00 0.00 C ATOM 0 HA PHE A 71 -7.801 -9.476 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.223 -10.536 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.377 -9.218 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.545 -10.511 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.208 -12.000 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.370 -12.115 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.033 -13.605 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.091 -13.643 1.266 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.448 -8.861 -3.007 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.289 -8.067 -3.376 1.00 0.00 C ATOM 1145 C VAL A 72 -4.733 -6.911 -4.275 1.00 0.00 C ATOM 1146 O VAL A 72 -5.723 -7.027 -4.997 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.230 -8.959 -4.029 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.953 -8.169 -4.321 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.932 -10.182 -3.159 1.00 0.00 C ATOM 0 H VAL A 72 -6.025 -9.164 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.827 -7.631 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.629 -9.313 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.217 -8.826 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.181 -7.345 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.550 -7.772 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.177 -10.799 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.563 -9.856 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.844 -10.764 -3.024 1.00 0.00 H new ATOM 1159 N PHE A 73 -3.981 -5.824 -4.201 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.285 -4.648 -4.999 1.00 0.00 C ATOM 1161 C PHE A 73 -3.061 -3.738 -5.122 1.00 0.00 C ATOM 1162 O PHE A 73 -2.266 -3.630 -4.190 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.398 -3.890 -4.273 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.941 -3.189 -2.992 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.743 -3.910 -1.856 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.732 -1.845 -2.990 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.319 -3.260 -0.667 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.308 -1.195 -1.801 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.110 -1.916 -0.665 1.00 0.00 C ATOM 0 H PHE A 73 -3.161 -5.732 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.585 -4.947 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.820 -3.148 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.198 -4.588 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.908 -4.977 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.888 -1.273 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.163 -3.832 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.143 -0.128 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.787 -1.421 0.239 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.948 -3.105 -6.281 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.835 -2.207 -6.538 1.00 0.00 C ATOM 1181 C GLU A 74 -2.345 -0.785 -6.779 1.00 0.00 C ATOM 1182 O GLU A 74 -3.387 -0.593 -7.403 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.998 -2.697 -7.722 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.558 -2.171 -9.045 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.816 -2.941 -9.452 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.726 -3.032 -8.600 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.839 -3.420 -10.606 1.00 0.00 O ATOM 0 H GLU A 74 -3.609 -3.196 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.191 -2.197 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.034 -2.367 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.985 -3.787 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.791 -1.111 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.803 -2.262 -9.826 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.585 0.175 -6.272 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.947 1.574 -6.424 1.00 0.00 C ATOM 1196 C ILE A 75 -1.050 2.216 -7.484 1.00 0.00 C ATOM 1197 O ILE A 75 0.173 2.211 -7.353 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.908 2.288 -5.071 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.675 1.494 -4.010 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.420 3.724 -5.194 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.986 1.593 -2.648 1.00 0.00 C ATOM 0 H ILE A 75 -0.721 0.012 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.974 1.665 -6.777 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.870 2.344 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.695 1.872 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.744 0.449 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.382 4.209 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.795 4.274 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.449 3.714 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.551 1.020 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.975 1.192 -2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.941 2.637 -2.338 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.692 2.754 -8.510 1.00 0.00 N ATOM 1214 CA ILE A 76 -0.967 3.399 -9.592 1.00 0.00 C ATOM 1215 C ILE A 76 -1.117 4.917 -9.467 1.00 0.00 C ATOM 1216 O ILE A 76 -2.231 5.428 -9.362 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.420 2.846 -10.944 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.073 1.361 -11.074 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.843 3.672 -12.096 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.312 0.538 -11.432 1.00 0.00 C ATOM 0 H ILE A 76 -2.707 2.757 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 76 0.098 3.177 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.505 2.929 -11.000 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.310 1.228 -11.841 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.650 0.999 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.181 3.257 -13.046 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.183 4.704 -12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.246 3.644 -12.054 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.038 -0.513 -11.518 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.064 0.654 -10.651 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.718 0.886 -12.382 1.00 0.00 H new ATOM 1232 N PRO A 77 0.051 5.613 -9.482 1.00 0.00 N ATOM 1233 CA PRO A 77 0.061 7.061 -9.371 1.00 0.00 C ATOM 1234 C PRO A 77 -0.385 7.714 -10.681 1.00 0.00 C ATOM 1235 O PRO A 77 -0.494 7.044 -11.707 1.00 0.00 O ATOM 1236 CB PRO A 77 1.488 7.417 -8.986 1.00 0.00 C ATOM 1237 CG PRO A 77 2.331 6.206 -9.348 1.00 0.00 C ATOM 1238 CD PRO A 77 1.389 5.041 -9.604 1.00 0.00 C ATOM 0 HA PRO A 77 -0.642 7.430 -8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.828 8.304 -9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.561 7.640 -7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.933 6.411 -10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.023 5.967 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.548 4.613 -10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.545 4.240 -8.882 1.00 0.00 H new ATOM 1411 N SER A 89 4.208 0.734 -9.857 1.00 0.00 N ATOM 1412 CA SER A 89 3.089 1.110 -9.009 1.00 0.00 C ATOM 1413 C SER A 89 3.309 0.585 -7.589 1.00 0.00 C ATOM 1414 O SER A 89 4.366 0.034 -7.284 1.00 0.00 O ATOM 1415 CB SER A 89 1.769 0.579 -9.573 1.00 0.00 C ATOM 1416 OG SER A 89 1.840 -0.811 -9.878 1.00 0.00 O ATOM 0 HA SER A 89 3.030 2.198 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.971 0.752 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.510 1.135 -10.474 1.00 0.00 H new ATOM 0 HG SER A 89 2.761 -1.047 -10.116 1.00 0.00 H new ATOM 1422 N TYR A 90 2.295 0.776 -6.758 1.00 0.00 N ATOM 1423 CA TYR A 90 2.364 0.329 -5.378 1.00 0.00 C ATOM 1424 C TYR A 90 1.579 -0.970 -5.182 1.00 0.00 C ATOM 1425 O TYR A 90 0.380 -0.940 -4.908 1.00 0.00 O ATOM 1426 CB TYR A 90 1.714 1.434 -4.543 1.00 0.00 C ATOM 1427 CG TYR A 90 2.715 2.327 -3.806 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.939 2.608 -4.377 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.392 2.850 -2.570 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.881 3.449 -3.683 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.334 3.690 -1.876 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.532 3.948 -2.467 1.00 0.00 C ATOM 1433 OH TYR A 90 5.421 4.741 -1.812 1.00 0.00 O ATOM 0 H TYR A 90 1.421 1.235 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 90 3.397 0.139 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.100 2.055 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.044 0.978 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.191 2.198 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.434 2.629 -2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.842 3.678 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.095 4.106 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 90 5.037 5.026 -0.957 1.00 0.00 H new ATOM 1443 N VAL A 91 2.287 -2.080 -5.330 1.00 0.00 N ATOM 1444 CA VAL A 91 1.672 -3.387 -5.172 1.00 0.00 C ATOM 1445 C VAL A 91 1.548 -3.712 -3.682 1.00 0.00 C ATOM 1446 O VAL A 91 2.509 -4.161 -3.060 1.00 0.00 O ATOM 1447 CB VAL A 91 2.468 -4.437 -5.949 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.858 -5.829 -5.772 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.566 -4.066 -7.430 1.00 0.00 C ATOM 0 H VAL A 91 3.281 -2.101 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 91 0.665 -3.388 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 91 3.479 -4.460 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.443 -6.557 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.864 -6.097 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.832 -5.826 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.137 -4.829 -7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.565 -4.001 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.066 -3.103 -7.532 1.00 0.00 H new ATOM 1459 N LEU A 92 0.357 -3.472 -3.154 1.00 0.00 N ATOM 1460 CA LEU A 92 0.096 -3.733 -1.748 1.00 0.00 C ATOM 1461 C LEU A 92 -0.774 -4.985 -1.620 1.00 0.00 C ATOM 1462 O LEU A 92 -1.561 -5.293 -2.515 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.503 -2.496 -1.076 1.00 0.00 C ATOM 1464 CG LEU A 92 0.215 -1.172 -1.345 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.264 -0.083 -0.383 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.734 -1.352 -1.297 1.00 0.00 C ATOM 0 H LEU A 92 -0.438 -3.100 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 92 1.027 -3.935 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.539 -2.397 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.521 -2.665 0.001 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.039 -0.845 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.262 0.848 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.336 0.069 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.060 -0.389 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.220 -0.396 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.027 -1.714 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.039 -2.075 -2.054 1.00 0.00 H new ATOM 1478 N MET A 93 -0.604 -5.673 -0.501 1.00 0.00 N ATOM 1479 CA MET A 93 -1.365 -6.884 -0.244 1.00 0.00 C ATOM 1480 C MET A 93 -1.801 -6.958 1.220 1.00 0.00 C ATOM 1481 O MET A 93 -1.023 -6.645 2.120 1.00 0.00 O ATOM 1482 CB MET A 93 -0.508 -8.106 -0.584 1.00 0.00 C ATOM 1483 CG MET A 93 -1.133 -9.386 -0.024 1.00 0.00 C ATOM 1484 SD MET A 93 -0.660 -10.785 -1.026 1.00 0.00 S ATOM 1485 CE MET A 93 1.113 -10.717 -0.837 1.00 0.00 C ATOM 0 H MET A 93 0.050 -5.415 0.238 1.00 0.00 H new ATOM 0 HA MET A 93 -2.258 -6.869 -0.869 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.403 -8.191 -1.666 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.494 -7.977 -0.175 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.808 -9.539 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.219 -9.292 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.590 -11.095 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.422 -9.685 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.412 -11.329 0.014 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.045 -7.373 1.414 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.594 -7.491 2.754 1.00 0.00 C ATOM 1497 C ALA A 94 -3.724 -8.972 3.118 1.00 0.00 C ATOM 1498 O ALA A 94 -3.669 -9.836 2.245 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.933 -6.754 2.824 1.00 0.00 C ATOM 0 H ALA A 94 -3.688 -7.632 0.665 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.929 -7.029 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.345 -6.843 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.782 -5.701 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.628 -7.192 2.107 1.00 0.00 H new ATOM 1505 N SER A 95 -3.895 -9.218 4.408 1.00 0.00 N ATOM 1506 CA SER A 95 -4.034 -10.578 4.899 1.00 0.00 C ATOM 1507 C SER A 95 -5.475 -11.057 4.713 1.00 0.00 C ATOM 1508 O SER A 95 -5.710 -12.130 4.160 1.00 0.00 O ATOM 1509 CB SER A 95 -3.627 -10.678 6.370 1.00 0.00 C ATOM 1510 OG SER A 95 -2.559 -11.601 6.567 1.00 0.00 O ATOM 0 H SER A 95 -3.940 -8.498 5.129 1.00 0.00 H new ATOM 0 HA SER A 95 -3.367 -11.219 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.327 -9.694 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.487 -10.987 6.964 1.00 0.00 H new ATOM 0 HG SER A 95 -2.327 -11.635 7.519 1.00 0.00 H new ATOM 1516 N SER A 96 -6.403 -10.238 5.187 1.00 0.00 N ATOM 1517 CA SER A 96 -7.814 -10.564 5.080 1.00 0.00 C ATOM 1518 C SER A 96 -8.520 -9.548 4.180 1.00 0.00 C ATOM 1519 O SER A 96 -8.010 -8.451 3.958 1.00 0.00 O ATOM 1520 CB SER A 96 -8.477 -10.602 6.459 1.00 0.00 C ATOM 1521 OG SER A 96 -7.684 -11.303 7.413 1.00 0.00 O ATOM 0 H SER A 96 -6.204 -9.349 5.646 1.00 0.00 H new ATOM 0 HA SER A 96 -7.902 -11.556 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.647 -9.583 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.454 -11.079 6.379 1.00 0.00 H new ATOM 0 HG SER A 96 -8.140 -11.304 8.280 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.682 -9.950 3.685 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.462 -9.088 2.814 1.00 0.00 C ATOM 1529 C GLN A 97 -10.929 -7.846 3.576 1.00 0.00 C ATOM 1530 O GLN A 97 -10.760 -6.723 3.103 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.650 -9.844 2.216 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.458 -8.943 1.279 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.518 -9.748 0.524 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -14.272 -10.519 1.095 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.534 -9.526 -0.787 1.00 0.00 N ATOM 0 H GLN A 97 -10.102 -10.861 3.871 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.826 -8.766 1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.292 -10.716 1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.292 -10.211 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.939 -8.152 1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.789 -8.459 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.874 -8.867 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.206 -10.015 -1.379 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.509 -8.090 4.742 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.002 -7.006 5.574 1.00 0.00 C ATOM 1546 C ALA A 98 -10.944 -5.903 5.646 1.00 0.00 C ATOM 1547 O ALA A 98 -11.279 -4.722 5.726 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.373 -7.549 6.955 1.00 0.00 C ATOM 0 H ALA A 98 -11.649 -9.023 5.130 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.904 -6.571 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.743 -6.735 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.149 -8.308 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.492 -7.992 7.421 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.690 -6.327 5.615 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.581 -5.390 5.676 1.00 0.00 C ATOM 1556 C GLU A 99 -8.449 -4.637 4.351 1.00 0.00 C ATOM 1557 O GLU A 99 -8.446 -3.407 4.329 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.277 -6.106 6.032 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.121 -5.111 6.158 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.326 -5.354 7.442 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -5.778 -4.852 8.494 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.284 -6.037 7.343 1.00 0.00 O ATOM 0 H GLU A 99 -9.417 -7.307 5.548 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.786 -4.666 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.400 -6.647 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.043 -6.845 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.462 -5.203 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.511 -4.093 6.154 1.00 0.00 H new ATOM 1569 N MET A 100 -8.343 -5.406 3.277 1.00 0.00 N ATOM 1570 CA MET A 100 -8.211 -4.827 1.951 1.00 0.00 C ATOM 1571 C MET A 100 -9.388 -3.900 1.638 1.00 0.00 C ATOM 1572 O MET A 100 -9.210 -2.852 1.021 1.00 0.00 O ATOM 1573 CB MET A 100 -8.150 -5.945 0.909 1.00 0.00 C ATOM 1574 CG MET A 100 -8.017 -5.372 -0.503 1.00 0.00 C ATOM 1575 SD MET A 100 -9.625 -4.924 -1.134 1.00 0.00 S ATOM 1576 CE MET A 100 -10.392 -6.534 -1.202 1.00 0.00 C ATOM 0 H MET A 100 -8.346 -6.426 3.298 1.00 0.00 H new ATOM 0 HA MET A 100 -7.293 -4.240 1.921 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.304 -6.599 1.121 1.00 0.00 H new ATOM 0 HB3 MET A 100 -9.050 -6.557 0.974 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.366 -4.498 -0.490 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.551 -6.106 -1.160 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.840 -6.682 -2.185 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.640 -7.303 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 100 -11.165 -6.601 -0.437 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.564 -4.321 2.079 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.770 -3.543 1.853 1.00 0.00 C ATOM 1588 C GLU A 101 -11.666 -2.187 2.556 1.00 0.00 C ATOM 1589 O GLU A 101 -12.032 -1.160 1.987 1.00 0.00 O ATOM 1590 CB GLU A 101 -13.011 -4.307 2.318 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.829 -4.802 1.124 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.117 -3.662 0.145 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.947 -2.800 0.507 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.501 -3.678 -0.942 1.00 0.00 O ATOM 0 H GLU A 101 -10.707 -5.191 2.592 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.871 -3.369 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.711 -5.154 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.627 -3.661 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.287 -5.597 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.768 -5.231 1.475 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.165 -2.229 3.781 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.008 -1.017 4.567 1.00 0.00 C ATOM 1603 C GLU A 102 -10.024 -0.065 3.884 1.00 0.00 C ATOM 1604 O GLU A 102 -10.367 1.078 3.585 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.556 -1.342 5.992 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.114 -0.326 6.990 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.627 -0.490 7.151 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.021 -1.403 7.908 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.354 0.302 6.514 1.00 0.00 O ATOM 0 H GLU A 102 -10.862 -3.083 4.249 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.977 -0.522 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.889 -2.344 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.467 -1.344 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.626 -0.454 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.888 0.685 6.650 1.00 0.00 H new ATOM 1616 N TRP A 103 -8.821 -0.571 3.657 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.785 0.220 3.014 1.00 0.00 C ATOM 1618 C TRP A 103 -8.351 0.760 1.699 1.00 0.00 C ATOM 1619 O TRP A 103 -8.553 1.964 1.554 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.508 -0.600 2.824 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.577 -0.592 4.038 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.242 -1.621 4.828 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -4.870 0.548 4.572 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.374 -1.230 5.828 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.141 0.130 5.667 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.847 1.887 4.144 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.336 0.990 6.425 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.038 2.733 4.912 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.298 2.328 6.017 1.00 0.00 C ATOM 0 H TRP A 103 -8.540 -1.519 3.907 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.498 1.064 3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.781 -1.630 2.595 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.966 -0.214 1.961 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.605 -2.630 4.699 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.977 -1.829 6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.409 2.235 3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.775 0.639 7.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.985 3.773 4.626 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.696 3.043 6.558 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.589 -0.158 0.774 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.127 0.211 -0.525 1.00 0.00 C ATOM 1642 C VAL A 104 -10.222 1.263 -0.338 1.00 0.00 C ATOM 1643 O VAL A 104 -10.190 2.317 -0.973 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.617 -1.037 -1.262 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.470 -0.658 -2.474 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.442 -1.927 -1.674 1.00 0.00 C ATOM 0 H VAL A 104 -8.419 -1.156 0.898 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.351 0.656 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.244 -1.607 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.806 -1.563 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.336 -0.084 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.877 -0.056 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.818 -2.807 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.777 -1.370 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.893 -2.239 -0.786 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.165 0.941 0.535 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.268 1.846 0.813 1.00 0.00 C ATOM 1658 C LYS A 105 -11.725 3.266 0.986 1.00 0.00 C ATOM 1659 O LYS A 105 -12.033 4.153 0.190 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.080 1.348 2.010 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.085 2.407 2.469 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.042 1.836 3.517 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.909 2.585 4.845 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.141 3.353 5.132 1.00 0.00 N ATOM 0 H LYS A 105 -11.188 0.066 1.059 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.963 1.870 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.608 0.433 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.408 1.099 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.553 3.263 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.653 2.770 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.068 1.908 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.831 0.778 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.719 1.877 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.054 3.260 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.034 3.855 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.306 4.042 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.950 2.702 5.191 1.00 0.00 H new ATOM 1678 N PHE A 106 -10.928 3.438 2.030 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.340 4.735 2.317 1.00 0.00 C ATOM 1680 C PHE A 106 -9.561 5.263 1.110 1.00 0.00 C ATOM 1681 O PHE A 106 -9.721 6.419 0.721 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.374 4.540 3.487 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.048 4.564 4.860 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.520 5.735 5.366 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.174 3.414 5.576 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.146 5.757 6.640 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.799 3.437 6.851 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.272 4.608 7.356 1.00 0.00 C ATOM 0 H PHE A 106 -10.676 2.700 2.688 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.124 5.455 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.857 3.588 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.615 5.321 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.419 6.648 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.799 2.484 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.522 6.687 7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.899 2.524 7.420 1.00 0.00 H new ATOM 0 HZ PHE A 106 -11.748 4.625 8.326 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.734 4.391 0.553 1.00 0.00 N ATOM 1699 CA LEU A 107 -7.929 4.755 -0.601 1.00 0.00 C ATOM 1700 C LEU A 107 -8.844 5.272 -1.713 1.00 0.00 C ATOM 1701 O LEU A 107 -8.839 6.462 -2.023 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.044 3.582 -1.028 1.00 0.00 C ATOM 1703 CG LEU A 107 -5.913 3.210 -0.067 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.492 1.752 -0.254 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.732 4.171 -0.212 1.00 0.00 C ATOM 0 H LEU A 107 -8.604 3.433 0.879 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.245 5.565 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.678 2.706 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.607 3.817 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.285 3.309 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.687 1.514 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.344 1.100 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.145 1.602 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.942 3.884 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.351 4.128 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.060 5.186 0.011 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.608 4.351 -2.283 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.526 4.699 -3.354 1.00 0.00 C ATOM 1719 C ARG A 108 -11.433 5.853 -2.921 1.00 0.00 C ATOM 1720 O ARG A 108 -11.489 6.886 -3.587 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.391 3.500 -3.748 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.623 2.549 -4.669 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.583 1.692 -5.496 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.133 1.644 -6.905 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.439 2.570 -7.823 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -12.198 3.622 -7.487 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -10.987 2.445 -9.078 1.00 0.00 N ATOM 0 H ARG A 108 -9.610 3.365 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.932 5.003 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.709 2.967 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.294 3.848 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.978 3.123 -5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.975 1.905 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.628 0.683 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.591 2.104 -5.441 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.554 0.856 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.543 3.718 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.431 4.327 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.410 1.644 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.220 3.150 -9.777 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.121 5.638 -1.809 1.00 0.00 N ATOM 1742 CA ARG A 109 -13.022 6.647 -1.280 1.00 0.00 C ATOM 1743 C ARG A 109 -12.422 8.043 -1.461 1.00 0.00 C ATOM 1744 O ARG A 109 -13.039 8.914 -2.073 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.305 6.410 0.205 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.068 7.588 0.813 1.00 0.00 C ATOM 1747 CD ARG A 109 -13.210 8.325 1.842 1.00 0.00 C ATOM 1748 NE ARG A 109 -13.932 8.417 3.131 1.00 0.00 N ATOM 1749 CZ ARG A 109 -13.619 9.280 4.107 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -12.596 10.131 3.948 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -14.330 9.293 5.243 1.00 0.00 N ATOM 0 H ARG A 109 -12.072 4.780 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.959 6.576 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.885 5.495 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.366 6.266 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -14.368 8.277 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.982 7.229 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.265 7.801 1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.969 9.324 1.478 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.717 7.784 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.055 10.122 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.359 10.788 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.109 8.646 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.092 9.950 5.986 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.225 8.212 -0.918 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.534 9.487 -1.012 1.00 0.00 C ATOM 1767 C VAL A 110 -10.218 9.784 -2.479 1.00 0.00 C ATOM 1768 O VAL A 110 -10.581 10.840 -2.995 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.290 9.475 -0.122 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.487 10.767 -0.285 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.665 9.243 1.343 1.00 0.00 C ATOM 0 H VAL A 110 -10.716 7.487 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.170 10.294 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.659 8.646 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.608 10.733 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.173 10.871 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.108 11.619 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.762 9.239 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.327 10.041 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.173 8.284 1.441 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.545 8.833 -3.110 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.175 8.980 -4.508 1.00 0.00 C ATOM 1783 C ALA A 111 -10.409 9.384 -5.317 1.00 0.00 C ATOM 1784 O ALA A 111 -10.285 9.960 -6.397 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.550 7.676 -5.010 1.00 0.00 C ATOM 0 H ALA A 111 -9.246 7.958 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.430 9.766 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.272 7.786 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.661 7.448 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.271 6.864 -4.908 1.00 0.00 H new