USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 717 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 Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 18 ASN : amide:sc= -2.09! C(o=-2.1!,f=-1.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 4:sc= -0.166 USER MOD Single : A 37 SER OG : rot 170:sc= 0.125 USER MOD Single : A 39 SER OG : rot 180:sc= -0.938 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.209) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -1.18 (180deg=-2.89!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-3.4!) USER MOD Single : A 78 ASN : amide:sc= -5.58! C(o=-5.6!,f=-5.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0247) USER MOD Single : A 90 GLN : amide:sc= -0.0275 K(o=-0.028,f=-0.88) USER MOD Single : A 95 CYS SG : rot 180:sc= -2.27! USER MOD Single : A 97 SER OG : rot 23:sc= 0.28 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= -0.101 (180deg=-1.04) USER MOD Single : A 107 SER OG : rot -35:sc= 0.295 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 10.108 11.946 4.820 1.00 0.00 N ATOM 67 CA VAL A 8 8.879 11.161 4.837 1.00 0.00 C ATOM 68 C VAL A 8 7.681 12.008 4.424 1.00 0.00 C ATOM 69 O VAL A 8 7.543 13.155 4.849 1.00 0.00 O ATOM 70 CB VAL A 8 8.615 10.561 6.231 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.244 9.904 6.278 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.706 9.566 6.598 1.00 0.00 C ATOM 0 HA VAL A 8 9.011 10.350 4.121 1.00 0.00 H new ATOM 0 HB VAL A 8 8.630 11.368 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.075 9.486 7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.477 10.647 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.197 9.107 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.504 9.152 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.726 8.760 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.671 10.072 6.608 1.00 0.00 H new ATOM 82 N ILE A 9 6.815 11.434 3.595 1.00 0.00 N ATOM 83 CA ILE A 9 5.627 12.136 3.126 1.00 0.00 C ATOM 84 C ILE A 9 4.441 11.888 4.053 1.00 0.00 C ATOM 85 O ILE A 9 3.778 12.827 4.493 1.00 0.00 O ATOM 86 CB ILE A 9 5.246 11.706 1.697 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.347 12.102 0.711 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.918 12.328 1.293 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.175 11.494 -0.663 1.00 0.00 C ATOM 0 H ILE A 9 6.914 10.485 3.235 1.00 0.00 H new ATOM 0 HA ILE A 9 5.868 13.199 3.124 1.00 0.00 H new ATOM 0 HB ILE A 9 5.138 10.622 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.368 13.188 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.312 11.798 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.662 12.015 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.139 12.001 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.000 13.414 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.991 11.818 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.185 10.407 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.225 11.818 -1.088 1.00 0.00 H new ATOM 101 N ARG A 10 4.181 10.618 4.346 1.00 0.00 N ATOM 102 CA ARG A 10 3.076 10.247 5.221 1.00 0.00 C ATOM 103 C ARG A 10 3.386 8.953 5.968 1.00 0.00 C ATOM 104 O ARG A 10 4.300 8.216 5.601 1.00 0.00 O ATOM 105 CB ARG A 10 1.788 10.085 4.410 1.00 0.00 C ATOM 106 CG ARG A 10 0.555 9.852 5.267 1.00 0.00 C ATOM 107 CD ARG A 10 -0.698 10.395 4.598 1.00 0.00 C ATOM 108 NE ARG A 10 -1.913 9.796 5.144 1.00 0.00 N ATOM 109 CZ ARG A 10 -2.486 10.197 6.274 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.956 11.192 6.973 1.00 0.00 N ATOM 111 NH2 ARG A 10 -3.591 9.603 6.707 1.00 0.00 N ATOM 0 H ARG A 10 4.721 9.829 3.990 1.00 0.00 H new ATOM 0 HA ARG A 10 2.939 11.044 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.635 10.978 3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.905 9.248 3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.436 8.785 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.688 10.332 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.738 11.477 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.649 10.203 3.526 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.345 9.028 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.107 11.651 6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.398 11.498 7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.002 8.838 6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.030 9.912 7.575 1.00 0.00 H new ATOM 125 N ARG A 11 2.618 8.686 7.020 1.00 0.00 N ATOM 126 CA ARG A 11 2.811 7.483 7.820 1.00 0.00 C ATOM 127 C ARG A 11 1.537 7.125 8.580 1.00 0.00 C ATOM 128 O ARG A 11 0.730 7.995 8.905 1.00 0.00 O ATOM 129 CB ARG A 11 3.966 7.679 8.804 1.00 0.00 C ATOM 130 CG ARG A 11 5.260 8.124 8.142 1.00 0.00 C ATOM 131 CD ARG A 11 6.417 8.130 9.130 1.00 0.00 C ATOM 132 NE ARG A 11 6.344 9.260 10.051 1.00 0.00 N ATOM 133 CZ ARG A 11 6.969 9.294 11.223 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.710 8.267 11.613 1.00 0.00 N ATOM 135 NH2 ARG A 11 6.854 10.359 12.007 1.00 0.00 N ATOM 0 H ARG A 11 1.857 9.286 7.337 1.00 0.00 H new ATOM 0 HA ARG A 11 3.053 6.663 7.144 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.676 8.419 9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.142 6.744 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.493 7.458 7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.132 9.122 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.414 7.199 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.360 8.168 8.584 1.00 0.00 H new ATOM 0 HE ARG A 11 5.783 10.067 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.802 7.447 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.189 8.296 12.513 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.285 11.152 11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.334 10.384 12.907 1.00 0.00 H new ATOM 149 N GLY A 12 1.363 5.836 8.860 1.00 0.00 N ATOM 150 CA GLY A 12 0.185 5.386 9.578 1.00 0.00 C ATOM 151 C GLY A 12 0.070 3.875 9.614 1.00 0.00 C ATOM 152 O GLY A 12 0.742 3.177 8.854 1.00 0.00 O ATOM 0 H GLY A 12 2.017 5.097 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.216 5.769 10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.705 5.804 9.108 1.00 0.00 H new ATOM 156 N TRP A 13 -0.781 3.369 10.498 1.00 0.00 N ATOM 157 CA TRP A 13 -0.980 1.930 10.631 1.00 0.00 C ATOM 158 C TRP A 13 -2.073 1.442 9.686 1.00 0.00 C ATOM 159 O TRP A 13 -3.256 1.715 9.896 1.00 0.00 O ATOM 160 CB TRP A 13 -1.341 1.575 12.074 1.00 0.00 C ATOM 161 CG TRP A 13 -0.222 1.815 13.042 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.137 3.008 13.600 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.685 0.837 13.563 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.213 2.831 14.437 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.567 1.508 14.433 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.836 -0.541 13.381 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.584 0.847 15.116 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.847 -1.195 14.060 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.710 -0.502 14.919 1.00 0.00 C ATOM 0 H TRP A 13 -1.345 3.933 11.134 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.047 1.434 10.365 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.208 2.161 12.379 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.633 0.526 12.120 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.352 3.952 13.412 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.673 3.566 14.974 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.175 -1.084 12.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.250 1.380 15.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.974 -2.259 13.926 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.490 -1.042 15.436 1.00 0.00 H new ATOM 180 N LEU A 14 -1.671 0.721 8.646 1.00 0.00 N ATOM 181 CA LEU A 14 -2.617 0.194 7.668 1.00 0.00 C ATOM 182 C LEU A 14 -2.804 -1.309 7.846 1.00 0.00 C ATOM 183 O LEU A 14 -2.171 -1.928 8.702 1.00 0.00 O ATOM 184 CB LEU A 14 -2.135 0.495 6.248 1.00 0.00 C ATOM 185 CG LEU A 14 -2.488 1.878 5.698 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.689 2.171 4.438 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.981 1.976 5.421 1.00 0.00 C ATOM 0 H LEU A 14 -0.696 0.488 8.458 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.578 0.683 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.051 0.382 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.550 -0.257 5.578 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.229 2.624 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.953 3.159 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.624 2.143 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.916 1.421 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.214 2.966 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.265 1.221 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.534 1.811 6.346 1.00 0.00 H new ATOM 199 N THR A 15 -3.677 -1.893 7.030 1.00 0.00 N ATOM 200 CA THR A 15 -3.946 -3.323 7.095 1.00 0.00 C ATOM 201 C THR A 15 -4.169 -3.906 5.704 1.00 0.00 C ATOM 202 O THR A 15 -5.037 -3.447 4.961 1.00 0.00 O ATOM 203 CB THR A 15 -5.180 -3.623 7.968 1.00 0.00 C ATOM 204 OG1 THR A 15 -4.917 -3.260 9.328 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.550 -5.096 7.894 1.00 0.00 C ATOM 0 H THR A 15 -4.210 -1.396 6.316 1.00 0.00 H new ATOM 0 HA THR A 15 -3.069 -3.789 7.544 1.00 0.00 H new ATOM 0 HB THR A 15 -6.017 -3.035 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.706 -3.452 9.876 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.424 -5.283 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.777 -5.363 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.714 -5.699 8.249 1.00 0.00 H new ATOM 213 N ILE A 16 -3.380 -4.918 5.359 1.00 0.00 N ATOM 214 CA ILE A 16 -3.493 -5.563 4.057 1.00 0.00 C ATOM 215 C ILE A 16 -4.646 -6.562 4.037 1.00 0.00 C ATOM 216 O ILE A 16 -4.711 -7.467 4.868 1.00 0.00 O ATOM 217 CB ILE A 16 -2.191 -6.291 3.674 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.996 -5.344 3.799 1.00 0.00 C ATOM 219 CG2 ILE A 16 -2.290 -6.845 2.261 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.339 -6.054 3.814 1.00 0.00 C ATOM 0 H ILE A 16 -2.656 -5.309 5.962 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.686 -4.774 3.330 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.043 -7.125 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.014 -4.638 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.099 -4.761 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.362 -7.357 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.120 -7.549 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.459 -6.027 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.140 -5.321 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.377 -6.740 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.463 -6.614 2.887 1.00 0.00 H new ATOM 232 N ASN A 17 -5.552 -6.392 3.080 1.00 0.00 N ATOM 233 CA ASN A 17 -6.702 -7.280 2.950 1.00 0.00 C ATOM 234 C ASN A 17 -6.416 -8.398 1.953 1.00 0.00 C ATOM 235 O ASN A 17 -7.236 -9.294 1.757 1.00 0.00 O ATOM 236 CB ASN A 17 -7.935 -6.490 2.507 1.00 0.00 C ATOM 237 CG ASN A 17 -8.728 -5.949 3.682 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.519 -6.355 4.825 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.643 -5.028 3.404 1.00 0.00 N ATOM 0 H ASN A 17 -5.512 -5.648 2.383 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.896 -7.727 3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.623 -5.662 1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.577 -7.132 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.207 -4.627 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.782 -4.721 2.441 1.00 0.00 H new ATOM 246 N ASN A 18 -5.246 -8.339 1.325 1.00 0.00 N ATOM 247 CA ASN A 18 -4.851 -9.347 0.347 1.00 0.00 C ATOM 248 C ASN A 18 -3.554 -10.032 0.766 1.00 0.00 C ATOM 249 O ASN A 18 -2.646 -10.213 -0.046 1.00 0.00 O ATOM 250 CB ASN A 18 -4.682 -8.710 -1.033 1.00 0.00 C ATOM 251 CG ASN A 18 -4.137 -9.686 -2.058 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.608 -10.818 -2.164 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.139 -9.250 -2.818 1.00 0.00 N ATOM 0 H ASN A 18 -4.555 -7.604 1.476 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.639 -10.099 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.644 -8.329 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.010 -7.855 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.731 -9.862 -3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.780 -8.303 -2.695 1.00 0.00 H new ATOM 395 N GLU A 28 -1.992 -6.164 10.039 1.00 0.00 N ATOM 396 CA GLU A 28 -1.673 -4.761 10.276 1.00 0.00 C ATOM 397 C GLU A 28 -0.186 -4.497 10.056 1.00 0.00 C ATOM 398 O GLU A 28 0.666 -5.239 10.544 1.00 0.00 O ATOM 399 CB GLU A 28 -2.068 -4.359 11.698 1.00 0.00 C ATOM 400 CG GLU A 28 -1.785 -2.901 12.019 1.00 0.00 C ATOM 401 CD GLU A 28 -2.421 -2.456 13.322 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.274 -3.179 14.330 1.00 0.00 O ATOM 403 OE2 GLU A 28 -3.065 -1.386 13.334 1.00 0.00 O ATOM 0 HA GLU A 28 -2.240 -4.160 9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.131 -4.554 11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.531 -4.989 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.707 -2.748 12.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.155 -2.276 11.206 1.00 0.00 H new ATOM 410 N TYR A 29 0.117 -3.436 9.317 1.00 0.00 N ATOM 411 CA TYR A 29 1.499 -3.074 9.028 1.00 0.00 C ATOM 412 C TYR A 29 1.692 -1.562 9.092 1.00 0.00 C ATOM 413 O TYR A 29 0.744 -0.797 8.920 1.00 0.00 O ATOM 414 CB TYR A 29 1.907 -3.594 7.649 1.00 0.00 C ATOM 415 CG TYR A 29 2.151 -5.086 7.611 1.00 0.00 C ATOM 416 CD1 TYR A 29 3.361 -5.623 8.033 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.170 -5.958 7.155 1.00 0.00 C ATOM 418 CE1 TYR A 29 3.588 -6.985 7.999 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.388 -7.322 7.120 1.00 0.00 C ATOM 420 CZ TYR A 29 2.598 -7.831 7.542 1.00 0.00 C ATOM 421 OH TYR A 29 2.820 -9.188 7.509 1.00 0.00 O ATOM 0 H TYR A 29 -0.577 -2.811 8.907 1.00 0.00 H new ATOM 0 HA TYR A 29 2.134 -3.535 9.785 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.127 -3.344 6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.812 -3.078 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.137 -4.964 8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.221 -5.563 6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.535 -7.386 8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.614 -7.986 6.764 1.00 0.00 H new ATOM 0 HH TYR A 29 2.023 -9.641 7.162 1.00 0.00 H new ATOM 431 N TRP A 30 2.927 -1.140 9.340 1.00 0.00 N ATOM 432 CA TRP A 30 3.245 0.281 9.426 1.00 0.00 C ATOM 433 C TRP A 30 3.841 0.785 8.117 1.00 0.00 C ATOM 434 O TRP A 30 5.051 0.711 7.905 1.00 0.00 O ATOM 435 CB TRP A 30 4.221 0.537 10.577 1.00 0.00 C ATOM 436 CG TRP A 30 4.769 1.932 10.591 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.972 2.345 10.094 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.135 3.096 11.132 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.124 3.696 10.293 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.010 4.180 10.927 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.912 3.328 11.767 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.700 5.474 11.337 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.606 4.613 12.173 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.496 5.673 11.956 1.00 0.00 C ATOM 0 H TRP A 30 3.723 -1.761 9.485 1.00 0.00 H new ATOM 0 HA TRP A 30 2.319 0.825 9.615 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.715 0.343 11.523 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.048 -0.170 10.507 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.697 1.704 9.615 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.935 4.249 10.014 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.219 2.518 11.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.386 6.292 11.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.664 4.803 12.666 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.227 6.666 12.284 1.00 0.00 H new ATOM 455 N PHE A 31 2.984 1.299 7.241 1.00 0.00 N ATOM 456 CA PHE A 31 3.426 1.815 5.951 1.00 0.00 C ATOM 457 C PHE A 31 4.025 3.211 6.100 1.00 0.00 C ATOM 458 O PHE A 31 3.499 4.050 6.831 1.00 0.00 O ATOM 459 CB PHE A 31 2.257 1.853 4.965 1.00 0.00 C ATOM 460 CG PHE A 31 1.871 0.500 4.440 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.187 -0.400 5.242 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.193 0.127 3.145 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.832 -1.646 4.761 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.840 -1.118 2.659 1.00 0.00 C ATOM 465 CZ PHE A 31 1.158 -2.005 3.468 1.00 0.00 C ATOM 0 H PHE A 31 1.979 1.369 7.401 1.00 0.00 H new ATOM 0 HA PHE A 31 4.196 1.147 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.394 2.304 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.520 2.498 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.929 -0.125 6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.726 0.817 2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.300 -2.339 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.097 -1.397 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.880 -2.978 3.090 1.00 0.00 H new ATOM 475 N VAL A 32 5.131 3.451 5.402 1.00 0.00 N ATOM 476 CA VAL A 32 5.803 4.744 5.456 1.00 0.00 C ATOM 477 C VAL A 32 6.120 5.257 4.056 1.00 0.00 C ATOM 478 O VAL A 32 7.239 5.099 3.564 1.00 0.00 O ATOM 479 CB VAL A 32 7.108 4.665 6.270 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.914 5.945 6.112 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.804 4.395 7.737 1.00 0.00 C ATOM 0 H VAL A 32 5.580 2.767 4.793 1.00 0.00 H new ATOM 0 HA VAL A 32 5.119 5.436 5.947 1.00 0.00 H new ATOM 0 HB VAL A 32 7.706 3.838 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.832 5.871 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.162 6.092 5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.326 6.791 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.737 4.342 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.186 5.200 8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.271 3.449 7.830 1.00 0.00 H new ATOM 491 N LEU A 33 5.131 5.872 3.418 1.00 0.00 N ATOM 492 CA LEU A 33 5.304 6.409 2.073 1.00 0.00 C ATOM 493 C LEU A 33 6.210 7.636 2.090 1.00 0.00 C ATOM 494 O LEU A 33 5.806 8.714 2.528 1.00 0.00 O ATOM 495 CB LEU A 33 3.947 6.771 1.468 1.00 0.00 C ATOM 496 CG LEU A 33 3.983 7.498 0.123 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.976 6.499 -1.023 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.809 8.458 0.003 1.00 0.00 C ATOM 0 H LEU A 33 4.200 6.011 3.811 1.00 0.00 H new ATOM 0 HA LEU A 33 5.774 5.641 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.370 5.854 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.409 7.395 2.181 1.00 0.00 H new ATOM 0 HG LEU A 33 4.905 8.076 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.002 7.034 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.850 5.852 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.071 5.894 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.851 8.966 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.875 7.902 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.858 9.195 0.804 1.00 0.00 H new ATOM 510 N THR A 34 7.437 7.466 1.607 1.00 0.00 N ATOM 511 CA THR A 34 8.400 8.559 1.565 1.00 0.00 C ATOM 512 C THR A 34 8.657 9.011 0.132 1.00 0.00 C ATOM 513 O THR A 34 8.171 8.399 -0.818 1.00 0.00 O ATOM 514 CB THR A 34 9.738 8.154 2.212 1.00 0.00 C ATOM 515 OG1 THR A 34 10.198 6.919 1.654 1.00 0.00 O ATOM 516 CG2 THR A 34 9.589 8.011 3.719 1.00 0.00 C ATOM 0 H THR A 34 7.787 6.581 1.239 1.00 0.00 H new ATOM 0 HA THR A 34 7.967 9.384 2.131 1.00 0.00 H new ATOM 0 HB THR A 34 10.467 8.938 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.593 6.639 0.935 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.547 7.724 4.154 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.267 8.961 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.846 7.244 3.940 1.00 0.00 H new ATOM 524 N ALA A 35 9.425 10.085 -0.016 1.00 0.00 N ATOM 525 CA ALA A 35 9.750 10.617 -1.334 1.00 0.00 C ATOM 526 C ALA A 35 10.653 9.661 -2.104 1.00 0.00 C ATOM 527 O ALA A 35 10.665 9.659 -3.335 1.00 0.00 O ATOM 528 CB ALA A 35 10.410 11.982 -1.204 1.00 0.00 C ATOM 0 H ALA A 35 9.834 10.604 0.761 1.00 0.00 H new ATOM 0 HA ALA A 35 8.821 10.727 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.647 12.367 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.729 12.669 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.327 11.889 -0.622 1.00 0.00 H new ATOM 534 N GLU A 36 11.410 8.849 -1.372 1.00 0.00 N ATOM 535 CA GLU A 36 12.319 7.890 -1.988 1.00 0.00 C ATOM 536 C GLU A 36 11.572 6.628 -2.412 1.00 0.00 C ATOM 537 O GLU A 36 11.607 6.235 -3.578 1.00 0.00 O ATOM 538 CB GLU A 36 13.447 7.527 -1.020 1.00 0.00 C ATOM 539 CG GLU A 36 12.957 6.930 0.289 1.00 0.00 C ATOM 540 CD GLU A 36 14.026 6.927 1.365 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.663 7.981 1.572 1.00 0.00 O ATOM 542 OE2 GLU A 36 14.224 5.871 2.000 1.00 0.00 O ATOM 0 H GLU A 36 11.411 8.837 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 36 12.748 8.354 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.117 6.817 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.032 8.421 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.094 7.495 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.620 5.908 0.114 1.00 0.00 H new ATOM 549 N SER A 37 10.896 5.998 -1.456 1.00 0.00 N ATOM 550 CA SER A 37 10.144 4.779 -1.728 1.00 0.00 C ATOM 551 C SER A 37 9.085 4.544 -0.655 1.00 0.00 C ATOM 552 O SER A 37 8.956 5.324 0.289 1.00 0.00 O ATOM 553 CB SER A 37 11.089 3.578 -1.800 1.00 0.00 C ATOM 554 OG SER A 37 11.956 3.543 -0.680 1.00 0.00 O ATOM 0 H SER A 37 10.854 6.312 -0.486 1.00 0.00 H new ATOM 0 HA SER A 37 9.643 4.896 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.508 2.657 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.676 3.628 -2.717 1.00 0.00 H new ATOM 0 HG SER A 37 12.441 2.691 -0.668 1.00 0.00 H new ATOM 560 N LEU A 38 8.328 3.463 -0.807 1.00 0.00 N ATOM 561 CA LEU A 38 7.279 3.122 0.147 1.00 0.00 C ATOM 562 C LEU A 38 7.550 1.768 0.794 1.00 0.00 C ATOM 563 O LEU A 38 7.509 0.732 0.130 1.00 0.00 O ATOM 564 CB LEU A 38 5.916 3.105 -0.547 1.00 0.00 C ATOM 565 CG LEU A 38 4.824 2.282 0.137 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.247 3.041 1.322 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.727 1.923 -0.854 1.00 0.00 C ATOM 0 H LEU A 38 8.421 2.807 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 38 7.272 3.882 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.565 4.133 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.051 2.723 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 38 5.269 1.358 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.471 2.440 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.038 3.246 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.817 3.981 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.958 1.337 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.284 2.836 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.151 1.338 -1.670 1.00 0.00 H new ATOM 579 N SER A 39 7.824 1.783 2.095 1.00 0.00 N ATOM 580 CA SER A 39 8.103 0.556 2.832 1.00 0.00 C ATOM 581 C SER A 39 7.175 0.422 4.035 1.00 0.00 C ATOM 582 O SER A 39 6.704 1.419 4.584 1.00 0.00 O ATOM 583 CB SER A 39 9.562 0.534 3.294 1.00 0.00 C ATOM 584 OG SER A 39 10.446 0.679 2.196 1.00 0.00 O ATOM 0 H SER A 39 7.859 2.631 2.660 1.00 0.00 H new ATOM 0 HA SER A 39 7.928 -0.288 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.732 1.337 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.769 -0.403 3.811 1.00 0.00 H new ATOM 0 HG SER A 39 11.372 0.664 2.517 1.00 0.00 H new ATOM 590 N TRP A 40 6.916 -0.816 4.439 1.00 0.00 N ATOM 591 CA TRP A 40 6.044 -1.081 5.578 1.00 0.00 C ATOM 592 C TRP A 40 6.773 -1.889 6.646 1.00 0.00 C ATOM 593 O TRP A 40 7.287 -2.974 6.374 1.00 0.00 O ATOM 594 CB TRP A 40 4.790 -1.830 5.122 1.00 0.00 C ATOM 595 CG TRP A 40 5.086 -2.986 4.215 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.292 -4.285 4.584 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.209 -2.947 2.789 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.537 -5.056 3.473 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.490 -4.259 2.360 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.107 -1.933 1.834 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.671 -4.579 1.017 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.287 -2.253 0.502 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.566 -3.567 0.103 1.00 0.00 C ATOM 0 H TRP A 40 7.297 -1.652 3.996 1.00 0.00 H new ATOM 0 HA TRP A 40 5.751 -0.124 6.010 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.253 -2.193 5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.127 -1.134 4.608 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.266 -4.652 5.599 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.724 -6.059 3.477 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.891 -0.917 2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.887 -5.591 0.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.211 -1.477 -0.245 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.701 -3.785 -0.946 1.00 0.00 H new ATOM 614 N TYR A 41 6.815 -1.353 7.860 1.00 0.00 N ATOM 615 CA TYR A 41 7.484 -2.024 8.969 1.00 0.00 C ATOM 616 C TYR A 41 6.468 -2.639 9.927 1.00 0.00 C ATOM 617 O TYR A 41 5.262 -2.590 9.687 1.00 0.00 O ATOM 618 CB TYR A 41 8.381 -1.039 9.722 1.00 0.00 C ATOM 619 CG TYR A 41 9.299 -0.245 8.820 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.805 0.780 8.023 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.660 -0.521 8.765 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.640 1.508 7.197 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.502 0.203 7.943 1.00 0.00 C ATOM 624 CZ TYR A 41 10.988 1.216 7.161 1.00 0.00 C ATOM 625 OH TYR A 41 11.823 1.938 6.341 1.00 0.00 O ATOM 0 H TYR A 41 6.394 -0.456 8.102 1.00 0.00 H new ATOM 0 HA TYR A 41 8.099 -2.825 8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.754 -0.349 10.287 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.983 -1.589 10.446 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.751 1.012 8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.066 -1.314 9.375 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.240 2.301 6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.558 -0.023 7.913 1.00 0.00 H new ATOM 0 HH TYR A 41 12.740 1.607 6.435 1.00 0.00 H new ATOM 635 N LYS A 42 6.966 -3.217 11.014 1.00 0.00 N ATOM 636 CA LYS A 42 6.104 -3.841 12.012 1.00 0.00 C ATOM 637 C LYS A 42 5.991 -2.967 13.257 1.00 0.00 C ATOM 638 O LYS A 42 5.575 -3.432 14.318 1.00 0.00 O ATOM 639 CB LYS A 42 6.645 -5.221 12.392 1.00 0.00 C ATOM 640 CG LYS A 42 5.559 -6.234 12.709 1.00 0.00 C ATOM 641 CD LYS A 42 6.040 -7.272 13.710 1.00 0.00 C ATOM 642 CE LYS A 42 6.113 -6.698 15.116 1.00 0.00 C ATOM 643 NZ LYS A 42 6.662 -7.682 16.089 1.00 0.00 N ATOM 0 H LYS A 42 7.962 -3.267 11.227 1.00 0.00 H new ATOM 0 HA LYS A 42 5.111 -3.954 11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.256 -5.600 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.299 -5.120 13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.685 -5.719 13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.244 -6.731 11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.366 -8.128 13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.023 -7.637 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.737 -5.805 15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.117 -6.389 15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.696 -7.252 17.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.052 -8.524 16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.622 -7.958 15.800 1.00 0.00 H new ATOM 657 N ASP A 43 6.363 -1.699 13.119 1.00 0.00 N ATOM 658 CA ASP A 43 6.300 -0.759 14.232 1.00 0.00 C ATOM 659 C ASP A 43 6.616 0.659 13.764 1.00 0.00 C ATOM 660 O ASP A 43 7.221 0.854 12.711 1.00 0.00 O ATOM 661 CB ASP A 43 7.276 -1.175 15.334 1.00 0.00 C ATOM 662 CG ASP A 43 8.543 -1.796 14.781 1.00 0.00 C ATOM 663 OD1 ASP A 43 8.533 -3.012 14.499 1.00 0.00 O ATOM 664 OD2 ASP A 43 9.546 -1.066 14.629 1.00 0.00 O ATOM 0 H ASP A 43 6.711 -1.299 12.248 1.00 0.00 H new ATOM 0 HA ASP A 43 5.286 -0.773 14.631 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.535 -0.303 15.935 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.787 -1.886 15.999 1.00 0.00 H new ATOM 669 N GLU A 44 6.201 1.644 14.555 1.00 0.00 N ATOM 670 CA GLU A 44 6.438 3.043 14.220 1.00 0.00 C ATOM 671 C GLU A 44 7.934 3.340 14.151 1.00 0.00 C ATOM 672 O GLU A 44 8.370 4.205 13.393 1.00 0.00 O ATOM 673 CB GLU A 44 5.773 3.957 15.251 1.00 0.00 C ATOM 674 CG GLU A 44 5.276 5.270 14.669 1.00 0.00 C ATOM 675 CD GLU A 44 6.316 6.371 14.740 1.00 0.00 C ATOM 676 OE1 GLU A 44 7.328 6.279 14.014 1.00 0.00 O ATOM 677 OE2 GLU A 44 6.118 7.324 15.522 1.00 0.00 O ATOM 0 H GLU A 44 5.700 1.499 15.431 1.00 0.00 H new ATOM 0 HA GLU A 44 6.001 3.234 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.934 3.429 15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.485 4.169 16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.986 5.116 13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.381 5.585 15.206 1.00 0.00 H new ATOM 684 N GLU A 45 8.713 2.615 14.948 1.00 0.00 N ATOM 685 CA GLU A 45 10.158 2.802 14.978 1.00 0.00 C ATOM 686 C GLU A 45 10.788 2.389 13.650 1.00 0.00 C ATOM 687 O GLU A 45 11.825 2.918 13.252 1.00 0.00 O ATOM 688 CB GLU A 45 10.776 1.994 16.121 1.00 0.00 C ATOM 689 CG GLU A 45 10.692 2.687 17.471 1.00 0.00 C ATOM 690 CD GLU A 45 11.798 3.705 17.673 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.669 4.832 17.151 1.00 0.00 O ATOM 692 OE2 GLU A 45 12.792 3.374 18.352 1.00 0.00 O ATOM 0 H GLU A 45 8.367 1.893 15.581 1.00 0.00 H new ATOM 0 HA GLU A 45 10.358 3.861 15.142 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.274 1.029 16.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.822 1.794 15.889 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.726 3.183 17.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.742 1.940 18.263 1.00 0.00 H new ATOM 699 N GLU A 46 10.153 1.438 12.971 1.00 0.00 N ATOM 700 CA GLU A 46 10.652 0.953 11.690 1.00 0.00 C ATOM 701 C GLU A 46 12.008 0.274 11.856 1.00 0.00 C ATOM 702 O GLU A 46 12.907 0.448 11.032 1.00 0.00 O ATOM 703 CB GLU A 46 10.765 2.107 10.691 1.00 0.00 C ATOM 704 CG GLU A 46 9.469 2.877 10.501 1.00 0.00 C ATOM 705 CD GLU A 46 9.701 4.316 10.084 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.396 4.536 9.070 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.187 5.223 10.772 1.00 0.00 O ATOM 0 H GLU A 46 9.293 0.989 13.287 1.00 0.00 H new ATOM 0 HA GLU A 46 9.943 0.219 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.540 2.795 11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.088 1.712 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.861 2.378 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.901 2.859 11.431 1.00 0.00 H new ATOM 714 N LYS A 47 12.149 -0.499 12.927 1.00 0.00 N ATOM 715 CA LYS A 47 13.394 -1.206 13.203 1.00 0.00 C ATOM 716 C LYS A 47 13.624 -2.320 12.187 1.00 0.00 C ATOM 717 O LYS A 47 14.623 -2.321 11.468 1.00 0.00 O ATOM 718 CB LYS A 47 13.372 -1.788 14.618 1.00 0.00 C ATOM 719 CG LYS A 47 13.252 -0.735 15.706 1.00 0.00 C ATOM 720 CD LYS A 47 14.610 -0.163 16.080 1.00 0.00 C ATOM 721 CE LYS A 47 14.636 0.308 17.526 1.00 0.00 C ATOM 722 NZ LYS A 47 15.990 0.777 17.932 1.00 0.00 N ATOM 0 H LYS A 47 11.415 -0.652 13.619 1.00 0.00 H new ATOM 0 HA LYS A 47 14.213 -0.491 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.537 -2.483 14.703 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.284 -2.363 14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.599 0.069 15.366 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.785 -1.173 16.588 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.379 -0.920 15.929 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.849 0.671 15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.917 1.117 17.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.323 -0.507 18.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.966 1.090 18.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.672 -0.002 17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.279 1.571 17.326 1.00 0.00 H new ATOM 736 N GLU A 48 12.692 -3.267 12.133 1.00 0.00 N ATOM 737 CA GLU A 48 12.794 -4.386 11.204 1.00 0.00 C ATOM 738 C GLU A 48 11.961 -4.131 9.951 1.00 0.00 C ATOM 739 O GLU A 48 10.732 -4.086 10.007 1.00 0.00 O ATOM 740 CB GLU A 48 12.336 -5.681 11.879 1.00 0.00 C ATOM 741 CG GLU A 48 12.314 -6.879 10.945 1.00 0.00 C ATOM 742 CD GLU A 48 12.427 -8.198 11.685 1.00 0.00 C ATOM 743 OE1 GLU A 48 11.385 -8.715 12.140 1.00 0.00 O ATOM 744 OE2 GLU A 48 13.557 -8.714 11.809 1.00 0.00 O ATOM 0 H GLU A 48 11.859 -3.281 12.721 1.00 0.00 H new ATOM 0 HA GLU A 48 13.839 -4.487 10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.997 -5.897 12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.337 -5.533 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.389 -6.868 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.135 -6.795 10.233 1.00 0.00 H new ATOM 751 N LYS A 49 12.640 -3.965 8.821 1.00 0.00 N ATOM 752 CA LYS A 49 11.965 -3.715 7.553 1.00 0.00 C ATOM 753 C LYS A 49 11.540 -5.024 6.895 1.00 0.00 C ATOM 754 O LYS A 49 12.343 -5.945 6.744 1.00 0.00 O ATOM 755 CB LYS A 49 12.882 -2.933 6.609 1.00 0.00 C ATOM 756 CG LYS A 49 12.281 -2.696 5.235 1.00 0.00 C ATOM 757 CD LYS A 49 12.852 -1.447 4.584 1.00 0.00 C ATOM 758 CE LYS A 49 14.323 -1.624 4.236 1.00 0.00 C ATOM 759 NZ LYS A 49 14.508 -2.446 3.009 1.00 0.00 N ATOM 0 H LYS A 49 13.657 -3.999 8.757 1.00 0.00 H new ATOM 0 HA LYS A 49 11.072 -3.124 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.121 -1.971 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.821 -3.475 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.474 -3.560 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.199 -2.600 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.288 -1.216 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.736 -0.598 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.782 -0.646 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.839 -2.097 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.384 -3.001 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.699 -3.091 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.570 -1.822 2.179 1.00 0.00 H new ATOM 773 N LYS A 50 10.272 -5.100 6.505 1.00 0.00 N ATOM 774 CA LYS A 50 9.739 -6.295 5.862 1.00 0.00 C ATOM 775 C LYS A 50 10.117 -6.331 4.384 1.00 0.00 C ATOM 776 O LYS A 50 10.931 -7.152 3.961 1.00 0.00 O ATOM 777 CB LYS A 50 8.217 -6.345 6.011 1.00 0.00 C ATOM 778 CG LYS A 50 7.721 -5.840 7.355 1.00 0.00 C ATOM 779 CD LYS A 50 8.359 -6.599 8.506 1.00 0.00 C ATOM 780 CE LYS A 50 7.537 -7.819 8.892 1.00 0.00 C ATOM 781 NZ LYS A 50 6.445 -7.474 9.844 1.00 0.00 N ATOM 0 H LYS A 50 9.594 -4.347 6.623 1.00 0.00 H new ATOM 0 HA LYS A 50 10.174 -7.166 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.763 -5.750 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.880 -7.372 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.945 -4.777 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.637 -5.944 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.365 -6.911 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.459 -5.939 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.109 -8.267 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.188 -8.568 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.631 -8.100 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.784 -7.595 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.156 -6.486 9.698 1.00 0.00 H new ATOM 795 N TYR A 51 9.521 -5.436 3.604 1.00 0.00 N ATOM 796 CA TYR A 51 9.795 -5.366 2.174 1.00 0.00 C ATOM 797 C TYR A 51 9.633 -3.940 1.657 1.00 0.00 C ATOM 798 O TYR A 51 8.640 -3.273 1.944 1.00 0.00 O ATOM 799 CB TYR A 51 8.861 -6.306 1.408 1.00 0.00 C ATOM 800 CG TYR A 51 9.251 -6.500 -0.040 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.954 -5.535 -0.994 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.916 -7.648 -0.453 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.307 -5.708 -2.319 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.274 -7.828 -1.775 1.00 0.00 C ATOM 805 CZ TYR A 51 9.968 -6.856 -2.704 1.00 0.00 C ATOM 806 OH TYR A 51 10.322 -7.032 -4.022 1.00 0.00 O ATOM 0 H TYR A 51 8.845 -4.749 3.938 1.00 0.00 H new ATOM 0 HA TYR A 51 10.827 -5.677 2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.848 -7.276 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.846 -5.911 1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.438 -4.634 -0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.157 -8.412 0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.067 -4.949 -3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.791 -8.726 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 51 10.781 -7.892 -4.125 1.00 0.00 H new ATOM 816 N MET A 52 10.618 -3.480 0.892 1.00 0.00 N ATOM 817 CA MET A 52 10.586 -2.133 0.333 1.00 0.00 C ATOM 818 C MET A 52 10.048 -2.150 -1.094 1.00 0.00 C ATOM 819 O MET A 52 10.194 -3.141 -1.812 1.00 0.00 O ATOM 820 CB MET A 52 11.985 -1.515 0.357 1.00 0.00 C ATOM 821 CG MET A 52 12.065 -0.168 -0.344 1.00 0.00 C ATOM 822 SD MET A 52 13.758 0.433 -0.501 1.00 0.00 S ATOM 823 CE MET A 52 14.157 -0.110 -2.161 1.00 0.00 C ATOM 0 H MET A 52 11.448 -4.020 0.645 1.00 0.00 H new ATOM 0 HA MET A 52 9.919 -1.527 0.946 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.303 -1.396 1.393 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.686 -2.204 -0.115 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.620 -0.252 -1.335 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.474 0.561 0.210 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.176 0.188 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.073 -1.195 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.465 0.346 -2.869 1.00 0.00 H new ATOM 833 N LEU A 53 9.426 -1.049 -1.500 1.00 0.00 N ATOM 834 CA LEU A 53 8.866 -0.937 -2.843 1.00 0.00 C ATOM 835 C LEU A 53 8.973 0.494 -3.360 1.00 0.00 C ATOM 836 O LEU A 53 8.636 1.456 -2.670 1.00 0.00 O ATOM 837 CB LEU A 53 7.404 -1.385 -2.845 1.00 0.00 C ATOM 838 CG LEU A 53 6.892 -1.999 -4.149 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.497 -3.378 -4.362 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.372 -2.077 -4.141 1.00 0.00 C ATOM 0 H LEU A 53 9.296 -0.221 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 53 9.439 -1.586 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.267 -2.113 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.781 -0.524 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 53 7.199 -1.358 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.122 -3.800 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.583 -3.295 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.221 -4.029 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.025 -2.516 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.044 -2.696 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.957 -1.075 -4.035 1.00 0.00 H new ATOM 852 N PRO A 54 9.452 0.639 -4.604 1.00 0.00 N ATOM 853 CA PRO A 54 9.612 1.949 -5.243 1.00 0.00 C ATOM 854 C PRO A 54 8.273 2.598 -5.578 1.00 0.00 C ATOM 855 O PRO A 54 7.214 2.013 -5.348 1.00 0.00 O ATOM 856 CB PRO A 54 10.385 1.626 -6.525 1.00 0.00 C ATOM 857 CG PRO A 54 10.054 0.204 -6.819 1.00 0.00 C ATOM 858 CD PRO A 54 9.874 -0.464 -5.484 1.00 0.00 C ATOM 0 HA PRO A 54 10.118 2.661 -4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.085 2.280 -7.344 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.457 1.762 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.146 0.130 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.851 -0.272 -7.389 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.123 -1.253 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.799 -0.923 -5.137 1.00 0.00 H new ATOM 866 N LEU A 55 8.328 3.809 -6.121 1.00 0.00 N ATOM 867 CA LEU A 55 7.118 4.537 -6.488 1.00 0.00 C ATOM 868 C LEU A 55 7.165 4.968 -7.950 1.00 0.00 C ATOM 869 O LEU A 55 6.580 5.984 -8.328 1.00 0.00 O ATOM 870 CB LEU A 55 6.945 5.763 -5.589 1.00 0.00 C ATOM 871 CG LEU A 55 7.157 5.533 -4.092 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.174 6.857 -3.345 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.076 4.618 -3.535 1.00 0.00 C ATOM 0 H LEU A 55 9.196 4.307 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 55 6.267 3.870 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.642 6.533 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.940 6.158 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 55 8.123 5.049 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.326 6.673 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.985 7.479 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.224 7.370 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.243 4.465 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.098 5.075 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.112 3.658 -4.049 1.00 0.00 H new ATOM 885 N ASP A 56 7.862 4.188 -8.769 1.00 0.00 N ATOM 886 CA ASP A 56 7.982 4.487 -10.192 1.00 0.00 C ATOM 887 C ASP A 56 7.376 3.369 -11.034 1.00 0.00 C ATOM 888 O ASP A 56 6.848 3.612 -12.119 1.00 0.00 O ATOM 889 CB ASP A 56 9.450 4.689 -10.570 1.00 0.00 C ATOM 890 CG ASP A 56 9.900 6.126 -10.395 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.174 7.035 -10.850 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.977 6.342 -9.802 1.00 0.00 O ATOM 0 H ASP A 56 8.352 3.344 -8.472 1.00 0.00 H new ATOM 0 HA ASP A 56 7.433 5.407 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.073 4.039 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.600 4.388 -11.607 1.00 0.00 H new ATOM 897 N ASN A 57 7.456 2.142 -10.528 1.00 0.00 N ATOM 898 CA ASN A 57 6.917 0.986 -11.235 1.00 0.00 C ATOM 899 C ASN A 57 5.629 0.500 -10.580 1.00 0.00 C ATOM 900 O ASN A 57 5.315 -0.691 -10.609 1.00 0.00 O ATOM 901 CB ASN A 57 7.947 -0.145 -11.264 1.00 0.00 C ATOM 902 CG ASN A 57 9.372 0.371 -11.315 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.099 0.317 -10.324 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.777 0.874 -12.475 1.00 0.00 N ATOM 0 H ASN A 57 7.889 1.923 -9.631 1.00 0.00 H new ATOM 0 HA ASN A 57 6.691 1.289 -12.257 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.821 -0.770 -10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.762 -0.779 -12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.726 1.236 -12.570 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.139 0.898 -13.271 1.00 0.00 H new ATOM 911 N LEU A 58 4.885 1.429 -9.989 1.00 0.00 N ATOM 912 CA LEU A 58 3.629 1.096 -9.326 1.00 0.00 C ATOM 913 C LEU A 58 2.504 2.011 -9.799 1.00 0.00 C ATOM 914 O LEU A 58 2.750 3.042 -10.427 1.00 0.00 O ATOM 915 CB LEU A 58 3.786 1.204 -7.808 1.00 0.00 C ATOM 916 CG LEU A 58 4.974 0.458 -7.201 1.00 0.00 C ATOM 917 CD1 LEU A 58 5.019 0.661 -5.695 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.903 -1.024 -7.540 1.00 0.00 C ATOM 0 H LEU A 58 5.130 2.419 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 58 3.371 0.069 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.873 2.258 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.873 0.834 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 58 5.891 0.864 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.871 0.122 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.119 1.724 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.099 0.283 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.757 -1.539 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.980 -1.445 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.921 -1.151 -8.622 1.00 0.00 H new ATOM 930 N LYS A 59 1.269 1.629 -9.492 1.00 0.00 N ATOM 931 CA LYS A 59 0.105 2.416 -9.882 1.00 0.00 C ATOM 932 C LYS A 59 -1.098 2.080 -9.006 1.00 0.00 C ATOM 933 O LYS A 59 -1.182 0.987 -8.445 1.00 0.00 O ATOM 934 CB LYS A 59 -0.236 2.166 -11.353 1.00 0.00 C ATOM 935 CG LYS A 59 -0.873 3.361 -12.041 1.00 0.00 C ATOM 936 CD LYS A 59 0.170 4.247 -12.701 1.00 0.00 C ATOM 937 CE LYS A 59 0.661 5.330 -11.753 1.00 0.00 C ATOM 938 NZ LYS A 59 1.614 6.260 -12.419 1.00 0.00 N ATOM 0 H LYS A 59 1.048 0.779 -8.974 1.00 0.00 H new ATOM 0 HA LYS A 59 0.348 3.470 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.674 1.893 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.913 1.315 -11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.584 3.014 -12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.437 3.943 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.013 3.638 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.254 4.708 -13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.191 5.894 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.146 4.868 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.925 6.983 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.439 5.726 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.144 6.721 -13.224 1.00 0.00 H new ATOM 952 N ILE A 60 -2.026 3.024 -8.896 1.00 0.00 N ATOM 953 CA ILE A 60 -3.224 2.826 -8.091 1.00 0.00 C ATOM 954 C ILE A 60 -4.472 2.772 -8.966 1.00 0.00 C ATOM 955 O ILE A 60 -4.646 3.591 -9.868 1.00 0.00 O ATOM 956 CB ILE A 60 -3.392 3.944 -7.046 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.144 4.043 -6.167 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.628 3.693 -6.195 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.107 5.287 -5.307 1.00 0.00 C ATOM 0 H ILE A 60 -1.971 3.934 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.103 1.873 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.521 4.892 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.092 3.165 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.259 4.025 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.733 4.492 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.511 3.669 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.527 2.738 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.195 5.290 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.127 6.171 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.973 5.298 -4.645 1.00 0.00 H new ATOM 971 N ARG A 61 -5.338 1.802 -8.693 1.00 0.00 N ATOM 972 CA ARG A 61 -6.571 1.641 -9.455 1.00 0.00 C ATOM 973 C ARG A 61 -7.731 1.261 -8.539 1.00 0.00 C ATOM 974 O ARG A 61 -7.530 0.941 -7.367 1.00 0.00 O ATOM 975 CB ARG A 61 -6.391 0.574 -10.537 1.00 0.00 C ATOM 976 CG ARG A 61 -5.812 -0.731 -10.016 1.00 0.00 C ATOM 977 CD ARG A 61 -5.614 -1.739 -11.136 1.00 0.00 C ATOM 978 NE ARG A 61 -6.885 -2.241 -11.652 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.592 -1.624 -12.592 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.155 -0.488 -13.116 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.740 -2.144 -13.009 1.00 0.00 N ATOM 0 H ARG A 61 -5.209 1.115 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.803 2.595 -9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.356 0.373 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.738 0.966 -11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.857 -0.537 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.478 -1.150 -9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.052 -1.275 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.016 -2.574 -10.771 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.250 -3.113 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.274 -0.085 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.700 -0.016 -13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.080 -3.018 -12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.282 -1.670 -13.731 1.00 0.00 H new ATOM 995 N ASP A 62 -8.943 1.298 -9.082 1.00 0.00 N ATOM 996 CA ASP A 62 -10.135 0.958 -8.314 1.00 0.00 C ATOM 997 C ASP A 62 -10.282 -0.555 -8.182 1.00 0.00 C ATOM 998 O ASP A 62 -10.201 -1.286 -9.169 1.00 0.00 O ATOM 999 CB ASP A 62 -11.380 1.548 -8.977 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.316 1.482 -10.491 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -11.743 0.455 -11.059 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -10.841 2.459 -11.107 1.00 0.00 O ATOM 0 H ASP A 62 -9.126 1.560 -10.051 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.029 1.383 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.262 1.010 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.496 2.586 -8.666 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.429 -1.324 2.910 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.722 -0.131 3.360 1.00 0.00 C ATOM 1131 C LYS A 71 -13.860 0.446 2.242 1.00 0.00 C ATOM 1132 O LYS A 71 -13.872 -0.052 1.116 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.849 -0.458 4.574 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.578 -0.329 5.900 1.00 0.00 C ATOM 1135 CD LYS A 71 -15.446 -1.545 6.181 1.00 0.00 C ATOM 1136 CE LYS A 71 -14.624 -2.701 6.730 1.00 0.00 C ATOM 1137 NZ LYS A 71 -14.513 -2.646 8.214 1.00 0.00 N ATOM 0 HA LYS A 71 -15.465 0.615 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.470 -1.475 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.984 0.206 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.853 -0.205 6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.198 0.567 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.225 -1.280 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.946 -1.856 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.082 -3.645 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.627 -2.679 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.946 -3.450 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.053 -1.757 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.463 -2.693 8.635 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.113 1.499 2.560 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.243 2.142 1.581 1.00 0.00 C ATOM 1153 C HIS A 72 -10.925 1.386 1.447 1.00 0.00 C ATOM 1154 O HIS A 72 -10.016 1.552 2.261 1.00 0.00 O ATOM 1155 CB HIS A 72 -11.975 3.593 1.982 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.168 4.283 2.568 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -13.997 5.104 1.834 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.670 4.269 3.824 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -14.957 5.567 2.614 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.782 5.075 3.827 1.00 0.00 N ATOM 0 H HIS A 72 -13.093 1.925 3.487 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.749 2.128 0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.160 3.617 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.639 4.147 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.271 3.725 4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.750 6.234 2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.376 5.263 4.635 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.827 0.555 0.414 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.620 -0.226 0.173 1.00 0.00 C ATOM 1171 C VAL A 73 -9.133 -0.056 -1.262 1.00 0.00 C ATOM 1172 O VAL A 73 -9.888 -0.257 -2.213 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.855 -1.723 0.450 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -8.556 -2.502 0.312 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -10.461 -1.920 1.831 1.00 0.00 C ATOM 0 H VAL A 73 -11.569 0.406 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.859 0.147 0.859 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.560 -2.105 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.742 -3.557 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.168 -2.387 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.826 -2.121 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.620 -2.983 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.783 -1.523 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.415 -1.396 1.888 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.866 0.315 -1.411 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.277 0.513 -2.730 1.00 0.00 C ATOM 1187 C PHE A 74 -6.199 -0.531 -3.007 1.00 0.00 C ATOM 1188 O PHE A 74 -5.484 -0.955 -2.100 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.682 1.919 -2.841 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.578 2.182 -1.856 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.863 2.393 -0.517 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.256 2.217 -2.270 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.849 2.635 0.391 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.239 2.459 -1.367 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.535 2.668 -0.035 1.00 0.00 C ATOM 0 H PHE A 74 -7.227 0.485 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.066 0.400 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.299 2.064 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.474 2.653 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.888 2.368 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.018 2.053 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.084 2.798 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.213 2.485 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.741 2.857 0.673 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.091 -0.941 -4.266 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.100 -1.934 -4.664 1.00 0.00 C ATOM 1207 C ALA A 75 -3.983 -1.297 -5.483 1.00 0.00 C ATOM 1208 O ALA A 75 -4.236 -0.461 -6.351 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.763 -3.054 -5.452 1.00 0.00 C ATOM 0 H ALA A 75 -6.677 -0.601 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.658 -2.353 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.012 -3.788 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.520 -3.535 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.232 -2.642 -6.345 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.747 -1.697 -5.202 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.592 -1.165 -5.914 1.00 0.00 C ATOM 1217 C ILE A 76 -0.898 -2.254 -6.726 1.00 0.00 C ATOM 1218 O ILE A 76 -0.477 -3.275 -6.184 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.574 -0.537 -4.944 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.209 0.635 -4.193 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.665 -0.080 -5.700 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.470 1.013 -2.928 1.00 0.00 C ATOM 0 H ILE A 76 -2.520 -2.388 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.964 -0.393 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.274 -1.291 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.248 1.501 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.238 0.380 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.375 0.362 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.126 -0.935 -6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.382 0.661 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.976 1.851 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.453 0.161 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.552 1.300 -3.176 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.782 -2.027 -8.030 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.138 -2.987 -8.919 1.00 0.00 C ATOM 1236 C PHE A 77 1.133 -2.400 -9.526 1.00 0.00 C ATOM 1237 O PHE A 77 1.337 -1.187 -9.511 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.100 -3.410 -10.031 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.484 -2.286 -10.951 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -2.563 -1.469 -10.655 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -0.765 -2.047 -12.111 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -2.918 -0.433 -11.499 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -1.116 -1.013 -12.959 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.194 -0.206 -12.653 1.00 0.00 C ATOM 0 H PHE A 77 -1.126 -1.187 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 77 0.133 -3.863 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.639 -4.206 -10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.002 -3.825 -9.582 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.133 -1.643 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.079 -2.675 -12.355 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.760 0.198 -11.256 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.547 -0.837 -13.860 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.470 0.601 -13.315 1.00 0.00 H new ATOM 1254 N ASN A 78 1.984 -3.270 -10.059 1.00 0.00 N ATOM 1255 CA ASN A 78 3.236 -2.839 -10.671 1.00 0.00 C ATOM 1256 C ASN A 78 3.054 -2.590 -12.165 1.00 0.00 C ATOM 1257 O ASN A 78 2.846 -3.524 -12.941 1.00 0.00 O ATOM 1258 CB ASN A 78 4.326 -3.889 -10.446 1.00 0.00 C ATOM 1259 CG ASN A 78 5.711 -3.277 -10.372 1.00 0.00 C ATOM 1260 OD1 ASN A 78 6.209 -2.970 -9.289 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.341 -3.098 -11.527 1.00 0.00 N ATOM 0 H ASN A 78 1.830 -4.278 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 78 3.539 -1.904 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.121 -4.430 -9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.297 -4.618 -11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.276 -2.691 -11.540 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.890 -3.367 -12.401 1.00 0.00 H new ATOM 1268 N THR A 79 3.134 -1.324 -12.563 1.00 0.00 N ATOM 1269 CA THR A 79 2.978 -0.952 -13.963 1.00 0.00 C ATOM 1270 C THR A 79 3.781 -1.877 -14.871 1.00 0.00 C ATOM 1271 O THR A 79 3.384 -2.147 -16.003 1.00 0.00 O ATOM 1272 CB THR A 79 3.421 0.502 -14.210 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.767 0.688 -13.758 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.501 1.478 -13.492 1.00 0.00 C ATOM 0 H THR A 79 3.306 -0.539 -11.935 1.00 0.00 H new ATOM 0 HA THR A 79 1.918 -1.047 -14.199 1.00 0.00 H new ATOM 0 HB THR A 79 3.367 0.697 -15.281 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.041 1.615 -13.920 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.834 2.498 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.482 1.355 -13.859 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.527 1.281 -12.420 1.00 0.00 H new ATOM 1282 N GLU A 80 4.912 -2.360 -14.365 1.00 0.00 N ATOM 1283 CA GLU A 80 5.770 -3.255 -15.132 1.00 0.00 C ATOM 1284 C GLU A 80 5.300 -4.701 -15.005 1.00 0.00 C ATOM 1285 O GLU A 80 6.111 -5.624 -14.934 1.00 0.00 O ATOM 1286 CB GLU A 80 7.221 -3.135 -14.660 1.00 0.00 C ATOM 1287 CG GLU A 80 7.771 -1.721 -14.737 1.00 0.00 C ATOM 1288 CD GLU A 80 7.734 -1.157 -16.144 1.00 0.00 C ATOM 1289 OE1 GLU A 80 8.296 -1.799 -17.057 1.00 0.00 O ATOM 1290 OE2 GLU A 80 7.144 -0.073 -16.333 1.00 0.00 O ATOM 0 H GLU A 80 5.255 -2.147 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 80 5.711 -2.963 -16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.290 -3.487 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.846 -3.792 -15.264 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.195 -1.074 -14.075 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.799 -1.715 -14.374 1.00 0.00 H new ATOM 1352 N VAL A 84 4.011 -7.189 -7.149 1.00 0.00 N ATOM 1353 CA VAL A 84 4.141 -6.183 -6.102 1.00 0.00 C ATOM 1354 C VAL A 84 4.699 -6.793 -4.821 1.00 0.00 C ATOM 1355 O VAL A 84 5.781 -6.421 -4.364 1.00 0.00 O ATOM 1356 CB VAL A 84 2.787 -5.516 -5.793 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.839 -4.800 -4.452 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.401 -4.554 -6.906 1.00 0.00 C ATOM 0 HA VAL A 84 4.833 -5.427 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 84 2.024 -6.292 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.874 -4.335 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.067 -5.518 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.613 -4.033 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.442 -4.092 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.163 -3.781 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.320 -5.099 -7.846 1.00 0.00 H new ATOM 1368 N TYR A 85 3.955 -7.731 -4.246 1.00 0.00 N ATOM 1369 CA TYR A 85 4.374 -8.391 -3.016 1.00 0.00 C ATOM 1370 C TYR A 85 4.955 -9.771 -3.309 1.00 0.00 C ATOM 1371 O TYR A 85 5.016 -10.201 -4.461 1.00 0.00 O ATOM 1372 CB TYR A 85 3.193 -8.517 -2.051 1.00 0.00 C ATOM 1373 CG TYR A 85 3.607 -8.709 -0.610 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.363 -7.749 0.050 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.242 -9.851 0.092 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.744 -7.920 1.367 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.616 -10.031 1.410 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.367 -9.062 2.043 1.00 0.00 C ATOM 1379 OH TYR A 85 4.744 -9.238 3.355 1.00 0.00 O ATOM 0 H TYR A 85 3.059 -8.051 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 85 5.149 -7.781 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.576 -7.622 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.572 -9.359 -2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.658 -6.853 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.655 -10.612 -0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.334 -7.164 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.322 -10.924 1.941 1.00 0.00 H new ATOM 0 HH TYR A 85 4.396 -10.093 3.683 1.00 0.00 H new ATOM 1389 N LYS A 86 5.380 -10.463 -2.257 1.00 0.00 N ATOM 1390 CA LYS A 86 5.955 -11.795 -2.398 1.00 0.00 C ATOM 1391 C LYS A 86 5.184 -12.614 -3.430 1.00 0.00 C ATOM 1392 O LYS A 86 5.726 -12.987 -4.470 1.00 0.00 O ATOM 1393 CB LYS A 86 5.951 -12.520 -1.050 1.00 0.00 C ATOM 1394 CG LYS A 86 6.688 -11.770 0.045 1.00 0.00 C ATOM 1395 CD LYS A 86 6.096 -12.059 1.414 1.00 0.00 C ATOM 1396 CE LYS A 86 6.664 -13.338 2.009 1.00 0.00 C ATOM 1397 NZ LYS A 86 5.875 -14.535 1.607 1.00 0.00 N ATOM 0 H LYS A 86 5.337 -10.123 -1.296 1.00 0.00 H new ATOM 0 HA LYS A 86 6.984 -11.685 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.920 -12.682 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.405 -13.503 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.741 -12.053 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.644 -10.699 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.300 -11.223 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.012 -12.145 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.698 -13.460 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.675 -13.259 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.469 -14.983 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.108 -14.246 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.496 -15.213 1.120 1.00 0.00 H new ATOM 1411 N ASP A 87 3.918 -12.888 -3.134 1.00 0.00 N ATOM 1412 CA ASP A 87 3.073 -13.660 -4.038 1.00 0.00 C ATOM 1413 C ASP A 87 1.719 -12.982 -4.226 1.00 0.00 C ATOM 1414 O ASP A 87 0.678 -13.640 -4.223 1.00 0.00 O ATOM 1415 CB ASP A 87 2.876 -15.078 -3.500 1.00 0.00 C ATOM 1416 CG ASP A 87 1.872 -15.133 -2.366 1.00 0.00 C ATOM 1417 OD1 ASP A 87 1.737 -14.124 -1.642 1.00 0.00 O ATOM 1418 OD2 ASP A 87 1.220 -16.185 -2.202 1.00 0.00 O ATOM 0 H ASP A 87 3.455 -12.587 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 87 3.571 -13.713 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.542 -15.727 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.833 -15.468 -3.153 1.00 0.00 H new ATOM 1423 N LEU A 88 1.741 -11.664 -4.390 1.00 0.00 N ATOM 1424 CA LEU A 88 0.515 -10.896 -4.579 1.00 0.00 C ATOM 1425 C LEU A 88 0.660 -9.916 -5.739 1.00 0.00 C ATOM 1426 O LEU A 88 1.610 -9.135 -5.790 1.00 0.00 O ATOM 1427 CB LEU A 88 0.161 -10.138 -3.298 1.00 0.00 C ATOM 1428 CG LEU A 88 0.315 -10.919 -1.993 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.286 -9.976 -0.800 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.776 -11.972 -1.869 1.00 0.00 C ATOM 0 H LEU A 88 2.594 -11.105 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.288 -11.594 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.787 -9.248 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.872 -9.797 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 88 1.280 -11.425 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.397 -10.550 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.104 -9.260 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.664 -9.441 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.650 -12.518 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.752 -11.487 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.708 -12.666 -2.706 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.289 -9.963 -6.668 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.268 -9.078 -7.827 1.00 0.00 C ATOM 1444 C ARG A 89 -0.546 -7.636 -7.416 1.00 0.00 C ATOM 1445 O ARG A 89 -0.009 -6.698 -8.005 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.300 -9.533 -8.861 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.911 -9.206 -10.294 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.884 -9.820 -11.289 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.810 -9.174 -12.596 1.00 0.00 N ATOM 1450 CZ ARG A 89 -2.306 -7.967 -12.849 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.908 -7.280 -11.889 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -2.199 -7.446 -14.065 1.00 0.00 N ATOM 0 H ARG A 89 -1.082 -10.604 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 89 0.727 -9.125 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.444 -10.610 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.258 -9.063 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.886 -8.125 -10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.095 -9.575 -10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.669 -10.883 -11.397 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.899 -9.738 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.353 -9.676 -13.357 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.992 -7.677 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.288 -6.354 -12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.736 -7.972 -14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.580 -6.520 -14.258 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.389 -7.467 -6.402 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.738 -6.139 -5.913 1.00 0.00 C ATOM 1468 C GLN A 90 -2.028 -6.168 -4.416 1.00 0.00 C ATOM 1469 O GLN A 90 -2.907 -6.899 -3.958 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.953 -5.598 -6.669 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.160 -6.521 -6.622 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.319 -6.010 -7.454 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.123 -5.312 -8.450 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.536 -6.355 -7.050 1.00 0.00 N ATOM 0 H GLN A 90 -1.842 -8.233 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.887 -5.480 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.230 -4.630 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.677 -5.428 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.870 -7.510 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.484 -6.637 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.652 -6.935 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.355 -6.040 -7.571 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.284 -5.370 -3.658 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.461 -5.305 -2.213 1.00 0.00 C ATOM 1485 C ILE A 91 -2.654 -4.428 -1.845 1.00 0.00 C ATOM 1486 O ILE A 91 -2.584 -3.202 -1.928 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.202 -4.758 -1.515 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.967 -5.730 -1.690 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.478 -4.514 -0.039 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.239 -5.274 -1.010 1.00 0.00 C ATOM 0 H ILE A 91 -0.552 -4.759 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.642 -6.324 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 91 0.067 -3.808 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.682 -6.704 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.161 -5.864 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.421 -4.128 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.285 -3.789 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.769 -5.451 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.025 -6.011 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.549 -4.314 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.061 -5.168 0.060 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.746 -5.066 -1.436 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.954 -4.343 -1.054 1.00 0.00 C ATOM 1504 C GLU A 92 -4.811 -3.746 0.343 1.00 0.00 C ATOM 1505 O GLU A 92 -4.674 -4.471 1.329 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.168 -5.273 -1.102 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.606 -5.629 -2.513 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.066 -6.031 -2.586 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.891 -5.405 -1.888 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.385 -6.973 -3.343 1.00 0.00 O ATOM 0 H GLU A 92 -3.819 -6.081 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.101 -3.530 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.934 -6.190 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.000 -4.798 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.435 -4.775 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.989 -6.446 -2.886 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.845 -2.421 0.420 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.719 -1.725 1.696 1.00 0.00 C ATOM 1519 C LEU A 93 -6.056 -1.130 2.126 1.00 0.00 C ATOM 1520 O LEU A 93 -6.674 -0.366 1.385 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.666 -0.620 1.595 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.240 -1.078 1.284 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.484 0.006 0.532 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.509 -1.451 2.565 1.00 0.00 C ATOM 0 H LEU A 93 -4.959 -1.806 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.406 -2.450 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.978 0.082 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.653 -0.071 2.537 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.292 -1.962 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.472 -0.337 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.997 0.225 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.440 0.909 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.496 -1.774 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.466 -0.585 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.040 -2.262 3.064 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.496 -1.486 3.328 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.758 -0.984 3.859 1.00 0.00 C ATOM 1538 C ALA A 94 -7.523 0.131 4.873 1.00 0.00 C ATOM 1539 O ALA A 94 -6.551 0.100 5.628 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.552 -2.117 4.492 1.00 0.00 C ATOM 0 H ALA A 94 -5.998 -2.120 3.953 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.333 -0.570 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.492 -1.728 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.760 -2.879 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.974 -2.557 5.305 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.417 1.113 4.883 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.306 2.239 5.804 1.00 0.00 C ATOM 1548 C CYS A 95 -9.564 2.370 6.656 1.00 0.00 C ATOM 1549 O CYS A 95 -10.591 1.758 6.364 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.062 3.535 5.030 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.488 3.578 4.140 1.00 0.00 S ATOM 0 H CYS A 95 -9.227 1.153 4.264 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.459 2.054 6.465 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.874 3.678 4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.097 4.373 5.726 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.374 4.712 3.515 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.475 3.172 7.712 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.606 3.384 8.608 1.00 0.00 C ATOM 1559 C ASP A 96 -11.779 4.014 7.863 1.00 0.00 C ATOM 1560 O ASP A 96 -12.881 3.466 7.843 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.195 4.274 9.781 1.00 0.00 C ATOM 1562 CG ASP A 96 -11.356 4.592 10.702 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.954 3.643 11.252 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -11.667 5.789 10.874 1.00 0.00 O ATOM 0 H ASP A 96 -8.632 3.686 7.968 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.921 2.413 8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.408 3.779 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.774 5.204 9.398 1.00 0.00 H new ATOM 1569 N SER A 97 -11.534 5.168 7.251 1.00 0.00 N ATOM 1570 CA SER A 97 -12.572 5.875 6.509 1.00 0.00 C ATOM 1571 C SER A 97 -11.964 6.699 5.377 1.00 0.00 C ATOM 1572 O SER A 97 -10.753 6.909 5.331 1.00 0.00 O ATOM 1573 CB SER A 97 -13.369 6.784 7.446 1.00 0.00 C ATOM 1574 OG SER A 97 -14.400 6.065 8.100 1.00 0.00 O ATOM 0 H SER A 97 -10.626 5.633 7.254 1.00 0.00 H new ATOM 0 HA SER A 97 -13.244 5.134 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.701 7.223 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.800 7.608 6.878 1.00 0.00 H new ATOM 0 HG SER A 97 -14.175 5.111 8.115 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.816 7.162 4.468 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.363 7.962 3.336 1.00 0.00 C ATOM 1582 C GLN A 98 -11.293 8.959 3.767 1.00 0.00 C ATOM 1583 O GLN A 98 -10.252 9.083 3.123 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.543 8.703 2.704 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.195 9.399 1.399 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.282 8.473 0.202 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.317 7.853 -0.044 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.192 8.374 -0.550 1.00 0.00 N ATOM 0 H GLN A 98 -13.822 6.997 4.493 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.929 7.288 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.352 7.995 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.918 9.442 3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.869 10.243 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.186 9.805 1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.356 8.906 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.191 7.766 -1.369 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.557 9.667 4.861 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.616 10.654 5.377 1.00 0.00 C ATOM 1599 C GLU A 99 -9.179 10.156 5.247 1.00 0.00 C ATOM 1600 O GLU A 99 -8.304 10.874 4.763 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.926 10.971 6.841 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.332 11.503 7.064 1.00 0.00 C ATOM 1603 CD GLU A 99 -12.489 12.942 6.611 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -12.431 13.190 5.389 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.671 13.820 7.480 1.00 0.00 O ATOM 0 H GLU A 99 -12.414 9.575 5.406 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.723 11.563 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.790 10.068 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.207 11.705 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.043 10.877 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.581 11.430 8.123 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.945 8.923 5.682 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.615 8.328 5.615 1.00 0.00 C ATOM 1614 C ASP A 100 -7.196 8.099 4.166 1.00 0.00 C ATOM 1615 O ASP A 100 -6.150 8.580 3.728 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.586 7.005 6.382 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.835 7.191 7.866 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.983 7.510 8.239 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.881 7.018 8.654 1.00 0.00 O ATOM 0 H ASP A 100 -9.659 8.316 6.085 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.910 9.021 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.340 6.334 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.618 6.525 6.236 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.018 7.361 3.426 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.732 7.069 2.027 1.00 0.00 C ATOM 1626 C VAL A 101 -7.367 8.337 1.264 1.00 0.00 C ATOM 1627 O VAL A 101 -6.250 8.474 0.765 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.934 6.396 1.337 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.647 6.176 -0.140 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.274 5.082 2.024 1.00 0.00 C ATOM 0 H VAL A 101 -8.887 6.955 3.773 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.884 6.384 2.014 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.796 7.057 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.507 5.700 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.456 7.136 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.772 5.535 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.125 4.620 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.416 4.412 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.525 5.271 3.068 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.316 9.263 1.177 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.094 10.522 0.476 1.00 0.00 C ATOM 1642 C ASP A 102 -6.657 11.000 0.658 1.00 0.00 C ATOM 1643 O ASP A 102 -5.946 11.246 -0.316 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.067 11.589 0.979 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.216 12.742 0.007 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.998 12.608 -0.958 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -8.552 13.779 0.210 1.00 0.00 O ATOM 0 H ASP A 102 -9.246 9.165 1.583 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.270 10.353 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.043 11.134 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.719 11.970 1.939 1.00 0.00 H new ATOM 1652 N SER A 103 -6.237 11.130 1.913 1.00 0.00 N ATOM 1653 CA SER A 103 -4.886 11.584 2.223 1.00 0.00 C ATOM 1654 C SER A 103 -3.846 10.648 1.615 1.00 0.00 C ATOM 1655 O SER A 103 -2.904 11.092 0.958 1.00 0.00 O ATOM 1656 CB SER A 103 -4.689 11.668 3.738 1.00 0.00 C ATOM 1657 OG SER A 103 -3.670 12.596 4.069 1.00 0.00 O ATOM 0 H SER A 103 -6.812 10.928 2.731 1.00 0.00 H new ATOM 0 HA SER A 103 -4.754 12.576 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.624 11.965 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.430 10.684 4.129 1.00 0.00 H new ATOM 0 HG SER A 103 -3.565 12.633 5.043 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.023 9.351 1.840 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.100 8.351 1.315 1.00 0.00 C ATOM 1665 C TRP A 104 -2.945 8.493 -0.195 1.00 0.00 C ATOM 1666 O TRP A 104 -1.841 8.385 -0.730 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.589 6.944 1.660 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.085 6.447 2.981 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.837 6.044 4.047 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.716 6.301 3.375 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.019 5.658 5.081 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.713 5.805 4.694 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.493 6.540 2.743 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.535 5.545 5.389 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.676 6.282 3.434 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.648 5.788 4.745 1.00 0.00 C ATOM 0 H TRP A 104 -4.797 8.967 2.382 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.127 8.513 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.679 6.938 1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.273 6.255 0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.917 6.031 4.073 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.333 5.317 5.990 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.462 6.920 1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.554 5.165 6.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.627 6.464 2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.579 5.595 5.258 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.058 8.736 -0.879 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.047 8.894 -2.329 1.00 0.00 C ATOM 1689 C LYS A 105 -3.372 10.203 -2.728 1.00 0.00 C ATOM 1690 O LYS A 105 -2.380 10.203 -3.455 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.475 8.856 -2.878 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.266 7.638 -2.432 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.527 7.458 -3.260 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.264 6.617 -4.500 1.00 0.00 C ATOM 1695 NZ LYS A 105 -6.838 7.452 -5.657 1.00 0.00 N ATOM 0 H LYS A 105 -4.980 8.828 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.479 8.067 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.001 9.756 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.437 8.875 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.643 6.747 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.532 7.741 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.297 6.982 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.912 8.434 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.492 5.879 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.167 6.066 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.132 6.993 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.281 8.391 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.803 7.556 -5.648 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.917 11.315 -2.246 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.366 12.629 -2.550 1.00 0.00 C ATOM 1711 C ALA A 106 -1.861 12.663 -2.307 1.00 0.00 C ATOM 1712 O ALA A 106 -1.110 13.257 -3.081 1.00 0.00 O ATOM 1713 CB ALA A 106 -4.060 13.698 -1.719 1.00 0.00 C ATOM 0 H ALA A 106 -4.740 11.332 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.542 12.833 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.638 14.675 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.126 13.699 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.913 13.488 -0.660 1.00 0.00 H new ATOM 1719 N SER A 107 -1.426 12.022 -1.227 1.00 0.00 N ATOM 1720 CA SER A 107 -0.010 11.982 -0.879 1.00 0.00 C ATOM 1721 C SER A 107 0.799 11.296 -1.976 1.00 0.00 C ATOM 1722 O SER A 107 1.829 11.808 -2.416 1.00 0.00 O ATOM 1723 CB SER A 107 0.190 11.253 0.450 1.00 0.00 C ATOM 1724 OG SER A 107 -0.221 9.900 0.357 1.00 0.00 O ATOM 0 H SER A 107 -2.034 11.523 -0.577 1.00 0.00 H new ATOM 0 HA SER A 107 0.344 13.008 -0.778 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.240 11.298 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.378 11.756 1.233 1.00 0.00 H new ATOM 0 HG SER A 107 -0.994 9.833 -0.242 1.00 0.00 H new ATOM 1730 N PHE A 108 0.326 10.134 -2.413 1.00 0.00 N ATOM 1731 CA PHE A 108 1.005 9.376 -3.457 1.00 0.00 C ATOM 1732 C PHE A 108 1.351 10.272 -4.642 1.00 0.00 C ATOM 1733 O PHE A 108 2.455 10.205 -5.184 1.00 0.00 O ATOM 1734 CB PHE A 108 0.128 8.211 -3.923 1.00 0.00 C ATOM 1735 CG PHE A 108 0.349 6.946 -3.144 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.579 6.310 -3.164 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.675 6.394 -2.391 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.784 5.145 -2.449 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.476 5.229 -1.673 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.756 4.605 -1.701 1.00 0.00 C ATOM 0 H PHE A 108 -0.525 9.697 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 108 1.931 8.981 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.920 8.500 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.324 8.018 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.387 6.729 -3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.640 6.879 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.747 4.657 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.283 4.808 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.915 3.697 -1.139 1.00 0.00 H new ATOM 1750 N LEU A 109 0.401 11.111 -5.039 1.00 0.00 N ATOM 1751 CA LEU A 109 0.604 12.022 -6.161 1.00 0.00 C ATOM 1752 C LEU A 109 1.817 12.915 -5.924 1.00 0.00 C ATOM 1753 O LEU A 109 2.597 13.175 -6.841 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.643 12.882 -6.377 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.734 12.273 -7.257 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.729 11.492 -6.412 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.444 13.358 -8.054 1.00 0.00 C ATOM 0 H LEU A 109 -0.518 11.180 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 109 0.785 11.425 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.075 13.111 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.334 13.829 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.265 11.583 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.498 11.066 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.210 10.690 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.193 12.160 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.218 12.906 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.900 14.073 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.724 13.873 -8.689 1.00 0.00 H new ATOM 1769 N ARG A 110 1.971 13.380 -4.689 1.00 0.00 N ATOM 1770 CA ARG A 110 3.091 14.243 -4.331 1.00 0.00 C ATOM 1771 C ARG A 110 4.422 13.549 -4.607 1.00 0.00 C ATOM 1772 O ARG A 110 5.384 14.182 -5.041 1.00 0.00 O ATOM 1773 CB ARG A 110 3.006 14.639 -2.856 1.00 0.00 C ATOM 1774 CG ARG A 110 1.803 15.508 -2.527 1.00 0.00 C ATOM 1775 CD ARG A 110 1.993 16.249 -1.213 1.00 0.00 C ATOM 1776 NE ARG A 110 0.746 16.836 -0.730 1.00 0.00 N ATOM 1777 CZ ARG A 110 0.651 17.537 0.394 1.00 0.00 C ATOM 1778 NH1 ARG A 110 1.724 17.738 1.147 1.00 0.00 N ATOM 1779 NH2 ARG A 110 -0.519 18.040 0.767 1.00 0.00 N ATOM 0 H ARG A 110 1.335 13.174 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 110 3.036 15.142 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.968 13.735 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.915 15.172 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.641 16.226 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.909 14.887 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.385 15.562 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.737 17.035 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.098 16.700 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.625 17.354 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.648 18.277 2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.347 17.888 0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.591 18.578 1.630 1.00 0.00 H new ATOM 1793 N ALA A 111 4.468 12.246 -4.351 1.00 0.00 N ATOM 1794 CA ALA A 111 5.680 11.467 -4.573 1.00 0.00 C ATOM 1795 C ALA A 111 5.954 11.291 -6.062 1.00 0.00 C ATOM 1796 O ALA A 111 7.107 11.227 -6.488 1.00 0.00 O ATOM 1797 CB ALA A 111 5.567 10.111 -3.891 1.00 0.00 C ATOM 0 H ALA A 111 3.680 11.708 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 111 6.518 12.012 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.479 9.539 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.426 10.253 -2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.715 9.568 -4.300 1.00 0.00 H new ATOM 1803 N GLY A 112 4.887 11.212 -6.851 1.00 0.00 N ATOM 1804 CA GLY A 112 5.035 11.043 -8.285 1.00 0.00 C ATOM 1805 C GLY A 112 4.226 9.877 -8.818 1.00 0.00 C ATOM 1806 O GLY A 112 4.640 9.206 -9.764 1.00 0.00 O ATOM 0 H GLY A 112 3.923 11.262 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.724 11.958 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.088 10.890 -8.523 1.00 0.00 H new ATOM 1810 N VAL A 113 3.070 9.632 -8.209 1.00 0.00 N ATOM 1811 CA VAL A 113 2.202 8.538 -8.628 1.00 0.00 C ATOM 1812 C VAL A 113 0.907 9.066 -9.234 1.00 0.00 C ATOM 1813 O VAL A 113 0.332 8.448 -10.131 1.00 0.00 O ATOM 1814 CB VAL A 113 1.862 7.609 -7.447 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.202 6.332 -7.946 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.113 7.293 -6.641 1.00 0.00 C ATOM 0 H VAL A 113 2.713 10.176 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 113 2.748 7.971 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 113 1.157 8.123 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.969 5.688 -7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.283 6.581 -8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.881 5.811 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.855 6.636 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.843 6.798 -7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.539 8.218 -6.252 1.00 0.00 H new