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= -0.395 X(o=-0.4,f=-0.86!) USER MOD Single : A 18 ASN : amide:sc= -2.84! C(o=-2.8!,f=-8!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -48:sc= 1.06 USER MOD Single : A 37 SER OG : rot -119:sc= -0.235 USER MOD Single : A 39 SER OG : rot 22:sc= 1.1 USER MOD Single : A 41 TYR OH : rot 165:sc= -0.0666 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0518 (180deg=-0.189) USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= -0.0058 (180deg=-0.931) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= -0.0522 (180deg=-0.0528) USER MOD Single : A 72 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.071) USER MOD Single : A 78 ASN : amide:sc= -6.78! C(o=-6.8!,f=-10!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -3.56 K(o=-3.6,f=-14!) USER MOD Single : A 95 CYS SG : rot 145:sc= -4.73! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= 0.00358 (180deg=0) USER MOD Single : A 107 SER OG : rot -77:sc= 0.962 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.794 12.485 4.865 1.00 0.00 N ATOM 67 CA VAL A 8 8.602 11.657 4.727 1.00 0.00 C ATOM 68 C VAL A 8 7.421 12.475 4.219 1.00 0.00 C ATOM 69 O VAL A 8 7.320 13.672 4.489 1.00 0.00 O ATOM 70 CB VAL A 8 8.219 10.997 6.065 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.874 12.055 7.102 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.059 10.032 5.869 1.00 0.00 C ATOM 0 HA VAL A 8 8.839 10.879 4.002 1.00 0.00 H new ATOM 0 HB VAL A 8 9.076 10.430 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.606 11.570 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.736 12.703 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.033 12.651 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.801 9.574 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.196 10.574 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.348 9.255 5.161 1.00 0.00 H new ATOM 82 N ILE A 9 6.528 11.822 3.483 1.00 0.00 N ATOM 83 CA ILE A 9 5.352 12.488 2.938 1.00 0.00 C ATOM 84 C ILE A 9 4.102 12.136 3.736 1.00 0.00 C ATOM 85 O ILE A 9 3.257 12.993 3.998 1.00 0.00 O ATOM 86 CB ILE A 9 5.127 12.115 1.461 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.340 12.519 0.620 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.865 12.781 0.933 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.361 11.885 -0.753 1.00 0.00 C ATOM 0 H ILE A 9 6.597 10.831 3.250 1.00 0.00 H new ATOM 0 HA ILE A 9 5.535 13.560 3.009 1.00 0.00 H new ATOM 0 HB ILE A 9 5.002 11.035 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.351 13.603 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.250 12.243 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.719 12.508 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.007 12.450 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.963 13.863 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.248 12.216 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.381 10.800 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.469 12.182 -1.304 1.00 0.00 H new ATOM 101 N ARG A 10 3.990 10.869 4.122 1.00 0.00 N ATOM 102 CA ARG A 10 2.843 10.402 4.892 1.00 0.00 C ATOM 103 C ARG A 10 3.148 9.070 5.569 1.00 0.00 C ATOM 104 O ARG A 10 3.909 8.256 5.045 1.00 0.00 O ATOM 105 CB ARG A 10 1.619 10.257 3.985 1.00 0.00 C ATOM 106 CG ARG A 10 0.338 9.938 4.738 1.00 0.00 C ATOM 107 CD ARG A 10 -0.393 11.204 5.156 1.00 0.00 C ATOM 108 NE ARG A 10 0.146 11.766 6.391 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.526 12.604 7.172 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.757 12.975 6.848 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.033 13.073 8.280 1.00 0.00 N ATOM 0 H ARG A 10 4.680 10.147 3.914 1.00 0.00 H new ATOM 0 HA ARG A 10 2.630 11.141 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.481 11.182 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.808 9.469 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.313 9.331 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.572 9.344 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.320 11.944 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.452 10.983 5.290 1.00 0.00 H new ATOM 0 HE ARG A 10 1.091 11.500 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.190 12.617 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.271 13.619 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.980 12.790 8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.484 13.717 8.879 1.00 0.00 H new ATOM 125 N ARG A 11 2.550 8.854 6.736 1.00 0.00 N ATOM 126 CA ARG A 11 2.760 7.622 7.486 1.00 0.00 C ATOM 127 C ARG A 11 1.486 7.207 8.216 1.00 0.00 C ATOM 128 O ARG A 11 0.597 8.025 8.449 1.00 0.00 O ATOM 129 CB ARG A 11 3.901 7.798 8.490 1.00 0.00 C ATOM 130 CG ARG A 11 5.221 8.194 7.848 1.00 0.00 C ATOM 131 CD ARG A 11 6.404 7.785 8.711 1.00 0.00 C ATOM 132 NE ARG A 11 6.567 8.663 9.867 1.00 0.00 N ATOM 133 CZ ARG A 11 7.545 8.533 10.756 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.443 7.566 10.622 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.627 9.371 11.781 1.00 0.00 N ATOM 0 H ARG A 11 1.916 9.517 7.183 1.00 0.00 H new ATOM 0 HA ARG A 11 3.026 6.837 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.619 8.558 9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.038 6.866 9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.305 7.725 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.241 9.272 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.267 6.759 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.314 7.803 8.111 1.00 0.00 H new ATOM 0 HE ARG A 11 5.893 9.417 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.383 6.920 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.193 7.468 11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.938 10.116 11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.379 9.270 12.463 1.00 0.00 H new ATOM 149 N GLY A 12 1.404 5.929 8.574 1.00 0.00 N ATOM 150 CA GLY A 12 0.235 5.427 9.273 1.00 0.00 C ATOM 151 C GLY A 12 0.123 3.917 9.205 1.00 0.00 C ATOM 152 O GLY A 12 0.652 3.289 8.288 1.00 0.00 O ATOM 0 H GLY A 12 2.126 5.232 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.278 5.738 10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.661 5.874 8.844 1.00 0.00 H new ATOM 156 N TRP A 13 -0.565 3.332 10.179 1.00 0.00 N ATOM 157 CA TRP A 13 -0.743 1.885 10.227 1.00 0.00 C ATOM 158 C TRP A 13 -1.823 1.437 9.249 1.00 0.00 C ATOM 159 O TRP A 13 -2.984 1.832 9.367 1.00 0.00 O ATOM 160 CB TRP A 13 -1.105 1.442 11.645 1.00 0.00 C ATOM 161 CG TRP A 13 0.028 1.576 12.617 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.521 2.735 13.146 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.809 0.514 13.175 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.562 2.457 13.998 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.758 1.101 14.034 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.798 -0.876 13.033 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.686 0.346 14.746 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.720 -1.625 13.740 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.653 -1.013 14.588 1.00 0.00 C ATOM 0 H TRP A 13 -1.009 3.837 10.946 1.00 0.00 H new ATOM 0 HA TRP A 13 0.198 1.418 9.938 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.949 2.034 11.998 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.432 0.403 11.621 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.147 3.724 12.927 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.102 3.148 14.519 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.082 -1.357 12.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.406 0.816 15.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.721 -2.700 13.637 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.360 -1.626 15.127 1.00 0.00 H new ATOM 180 N LEU A 14 -1.436 0.611 8.284 1.00 0.00 N ATOM 181 CA LEU A 14 -2.373 0.108 7.285 1.00 0.00 C ATOM 182 C LEU A 14 -2.626 -1.384 7.478 1.00 0.00 C ATOM 183 O LEU A 14 -1.745 -2.123 7.919 1.00 0.00 O ATOM 184 CB LEU A 14 -1.836 0.369 5.877 1.00 0.00 C ATOM 185 CG LEU A 14 -2.163 1.736 5.276 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.425 1.932 3.961 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.664 1.885 5.074 1.00 0.00 C ATOM 0 H LEU A 14 -0.480 0.275 8.172 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.318 0.636 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.752 0.253 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.228 -0.401 5.212 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.832 2.506 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.670 2.911 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.351 1.870 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.724 1.156 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.878 2.864 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.019 1.107 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.171 1.790 6.034 1.00 0.00 H new ATOM 199 N THR A 15 -3.835 -1.822 7.142 1.00 0.00 N ATOM 200 CA THR A 15 -4.204 -3.226 7.276 1.00 0.00 C ATOM 201 C THR A 15 -4.258 -3.913 5.916 1.00 0.00 C ATOM 202 O THR A 15 -5.272 -3.852 5.220 1.00 0.00 O ATOM 203 CB THR A 15 -5.568 -3.384 7.973 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.571 -2.668 9.213 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.879 -4.851 8.229 1.00 0.00 C ATOM 0 H THR A 15 -4.576 -1.225 6.775 1.00 0.00 H new ATOM 0 HA THR A 15 -3.435 -3.698 7.888 1.00 0.00 H new ATOM 0 HB THR A 15 -6.336 -2.975 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.443 -2.772 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.847 -4.937 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.906 -5.388 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.107 -5.280 8.868 1.00 0.00 H new ATOM 213 N ILE A 16 -3.162 -4.565 5.544 1.00 0.00 N ATOM 214 CA ILE A 16 -3.087 -5.265 4.268 1.00 0.00 C ATOM 215 C ILE A 16 -4.198 -6.301 4.142 1.00 0.00 C ATOM 216 O ILE A 16 -4.049 -7.442 4.579 1.00 0.00 O ATOM 217 CB ILE A 16 -1.726 -5.963 4.088 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.599 -4.930 4.050 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.725 -6.804 2.820 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.784 -5.544 4.046 1.00 0.00 C ATOM 0 H ILE A 16 -2.314 -4.623 6.108 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.206 -4.513 3.488 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.558 -6.624 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.715 -4.310 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.692 -4.270 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.756 -7.291 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.506 -7.561 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.912 -6.163 1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.533 -4.753 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.920 -6.141 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.897 -6.181 3.169 1.00 0.00 H new ATOM 232 N ASN A 17 -5.312 -5.897 3.541 1.00 0.00 N ATOM 233 CA ASN A 17 -6.449 -6.791 3.357 1.00 0.00 C ATOM 234 C ASN A 17 -5.984 -8.185 2.946 1.00 0.00 C ATOM 235 O ASN A 17 -6.562 -9.189 3.359 1.00 0.00 O ATOM 236 CB ASN A 17 -7.402 -6.227 2.300 1.00 0.00 C ATOM 237 CG ASN A 17 -8.776 -6.867 2.361 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.904 -8.068 2.596 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.812 -6.064 2.147 1.00 0.00 N ATOM 0 H ASN A 17 -5.452 -4.956 3.173 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.976 -6.869 4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.499 -5.150 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.975 -6.383 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.761 -6.437 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.659 -5.074 1.956 1.00 0.00 H new ATOM 246 N ASN A 18 -4.936 -8.237 2.132 1.00 0.00 N ATOM 247 CA ASN A 18 -4.392 -9.507 1.665 1.00 0.00 C ATOM 248 C ASN A 18 -2.871 -9.444 1.564 1.00 0.00 C ATOM 249 O ASN A 18 -2.325 -8.746 0.709 1.00 0.00 O ATOM 250 CB ASN A 18 -4.990 -9.873 0.305 1.00 0.00 C ATOM 251 CG ASN A 18 -4.359 -9.095 -0.833 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.805 -8.000 -1.173 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.313 -9.659 -1.426 1.00 0.00 N ATOM 0 H ASN A 18 -4.446 -7.414 1.781 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.658 -10.276 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.858 -10.940 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.063 -9.683 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.845 -9.182 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.977 -10.569 -1.111 1.00 0.00 H new ATOM 395 N GLU A 28 -1.716 -6.064 9.656 1.00 0.00 N ATOM 396 CA GLU A 28 -1.418 -4.638 9.723 1.00 0.00 C ATOM 397 C GLU A 28 0.079 -4.402 9.898 1.00 0.00 C ATOM 398 O GLU A 28 0.772 -5.192 10.540 1.00 0.00 O ATOM 399 CB GLU A 28 -2.186 -3.987 10.876 1.00 0.00 C ATOM 400 CG GLU A 28 -1.627 -4.327 12.247 1.00 0.00 C ATOM 401 CD GLU A 28 -2.678 -4.261 13.338 1.00 0.00 C ATOM 402 OE1 GLU A 28 -3.844 -4.613 13.060 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.336 -3.857 14.469 1.00 0.00 O ATOM 0 HA GLU A 28 -1.733 -4.183 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.173 -2.905 10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.229 -4.301 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.197 -5.328 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.817 -3.638 12.486 1.00 0.00 H new ATOM 410 N TYR A 29 0.572 -3.311 9.322 1.00 0.00 N ATOM 411 CA TYR A 29 1.987 -2.972 9.411 1.00 0.00 C ATOM 412 C TYR A 29 2.187 -1.460 9.399 1.00 0.00 C ATOM 413 O TYR A 29 1.230 -0.698 9.261 1.00 0.00 O ATOM 414 CB TYR A 29 2.759 -3.609 8.254 1.00 0.00 C ATOM 415 CG TYR A 29 2.886 -5.112 8.365 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.921 -5.952 7.822 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.969 -5.691 9.013 1.00 0.00 C ATOM 418 CE1 TYR A 29 2.033 -7.326 7.922 1.00 0.00 C ATOM 419 CE2 TYR A 29 4.090 -7.064 9.117 1.00 0.00 C ATOM 420 CZ TYR A 29 3.119 -7.876 8.569 1.00 0.00 C ATOM 421 OH TYR A 29 3.234 -9.244 8.671 1.00 0.00 O ATOM 0 H TYR A 29 0.012 -2.646 8.788 1.00 0.00 H new ATOM 0 HA TYR A 29 2.370 -3.363 10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.260 -3.363 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.756 -3.171 8.209 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.070 -5.524 7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.730 -5.057 9.443 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.274 -7.965 7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.939 -7.498 9.624 1.00 0.00 H new ATOM 0 HH TYR A 29 4.056 -9.468 9.155 1.00 0.00 H new ATOM 431 N TRP A 30 3.436 -1.034 9.543 1.00 0.00 N ATOM 432 CA TRP A 30 3.764 0.387 9.549 1.00 0.00 C ATOM 433 C TRP A 30 4.198 0.851 8.163 1.00 0.00 C ATOM 434 O TRP A 30 5.367 0.733 7.796 1.00 0.00 O ATOM 435 CB TRP A 30 4.870 0.673 10.566 1.00 0.00 C ATOM 436 CG TRP A 30 5.328 2.100 10.559 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.541 2.569 10.143 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.581 3.242 10.991 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.593 3.934 10.290 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.402 4.371 10.808 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.297 3.421 11.514 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.980 5.659 11.129 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.880 4.699 11.832 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.719 5.805 11.639 1.00 0.00 C ATOM 0 H TRP A 30 4.239 -1.652 9.657 1.00 0.00 H new ATOM 0 HA TRP A 30 2.868 0.940 9.833 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.511 0.419 11.563 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.721 0.025 10.359 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.342 1.957 9.755 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.389 4.526 10.052 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.643 2.575 11.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.625 6.512 10.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.890 4.849 12.237 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.363 6.791 11.898 1.00 0.00 H new ATOM 455 N PHE A 31 3.249 1.379 7.396 1.00 0.00 N ATOM 456 CA PHE A 31 3.535 1.860 6.049 1.00 0.00 C ATOM 457 C PHE A 31 4.129 3.265 6.088 1.00 0.00 C ATOM 458 O PHE A 31 3.534 4.188 6.644 1.00 0.00 O ATOM 459 CB PHE A 31 2.260 1.856 5.203 1.00 0.00 C ATOM 460 CG PHE A 31 1.926 0.510 4.628 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.747 -0.587 5.456 1.00 0.00 C ATOM 462 CD2 PHE A 31 1.789 0.340 3.260 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.440 -1.827 4.930 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.482 -0.898 2.727 1.00 0.00 C ATOM 465 CZ PHE A 31 1.306 -1.983 3.564 1.00 0.00 C ATOM 0 H PHE A 31 2.276 1.484 7.684 1.00 0.00 H new ATOM 0 HA PHE A 31 4.265 1.189 5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.426 2.197 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.371 2.572 4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.849 -0.471 6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.924 1.185 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.305 -2.674 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.380 -1.017 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.064 -2.951 3.151 1.00 0.00 H new ATOM 475 N VAL A 32 5.308 3.418 5.494 1.00 0.00 N ATOM 476 CA VAL A 32 5.984 4.710 5.459 1.00 0.00 C ATOM 477 C VAL A 32 6.197 5.181 4.025 1.00 0.00 C ATOM 478 O VAL A 32 7.195 4.840 3.389 1.00 0.00 O ATOM 479 CB VAL A 32 7.347 4.649 6.175 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.111 5.950 5.980 1.00 0.00 C ATOM 481 CG2 VAL A 32 7.158 4.349 7.654 1.00 0.00 C ATOM 0 H VAL A 32 5.815 2.664 5.031 1.00 0.00 H new ATOM 0 HA VAL A 32 5.339 5.419 5.979 1.00 0.00 H new ATOM 0 HB VAL A 32 7.933 3.842 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.071 5.889 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.278 6.118 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.532 6.777 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.131 4.309 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.553 5.133 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.654 3.389 7.769 1.00 0.00 H new ATOM 491 N LEU A 33 5.252 5.967 3.520 1.00 0.00 N ATOM 492 CA LEU A 33 5.335 6.487 2.160 1.00 0.00 C ATOM 493 C LEU A 33 6.217 7.730 2.105 1.00 0.00 C ATOM 494 O LEU A 33 5.781 8.830 2.444 1.00 0.00 O ATOM 495 CB LEU A 33 3.937 6.815 1.632 1.00 0.00 C ATOM 496 CG LEU A 33 3.875 7.424 0.231 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.761 6.331 -0.821 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.709 8.395 0.122 1.00 0.00 C ATOM 0 H LEU A 33 4.419 6.258 4.032 1.00 0.00 H new ATOM 0 HA LEU A 33 5.783 5.718 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.345 5.900 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.460 7.505 2.328 1.00 0.00 H new ATOM 0 HG LEU A 33 4.798 7.976 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.718 6.783 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.629 5.674 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.854 5.752 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.681 8.819 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.776 7.867 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.833 9.196 0.850 1.00 0.00 H new ATOM 510 N THR A 34 7.461 7.548 1.672 1.00 0.00 N ATOM 511 CA THR A 34 8.405 8.654 1.571 1.00 0.00 C ATOM 512 C THR A 34 8.632 9.052 0.117 1.00 0.00 C ATOM 513 O THR A 34 8.164 8.379 -0.800 1.00 0.00 O ATOM 514 CB THR A 34 9.760 8.297 2.212 1.00 0.00 C ATOM 515 OG1 THR A 34 10.345 7.182 1.530 1.00 0.00 O ATOM 516 CG2 THR A 34 9.590 7.964 3.686 1.00 0.00 C ATOM 0 H THR A 34 7.838 6.645 1.386 1.00 0.00 H new ATOM 0 HA THR A 34 7.967 9.494 2.110 1.00 0.00 H new ATOM 0 HB THR A 34 10.418 9.162 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.674 6.476 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.560 7.715 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.171 8.825 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.917 7.113 3.792 1.00 0.00 H new ATOM 524 N ALA A 35 9.354 10.149 -0.085 1.00 0.00 N ATOM 525 CA ALA A 35 9.645 10.635 -1.428 1.00 0.00 C ATOM 526 C ALA A 35 10.578 9.680 -2.167 1.00 0.00 C ATOM 527 O ALA A 35 10.820 9.837 -3.363 1.00 0.00 O ATOM 528 CB ALA A 35 10.254 12.028 -1.365 1.00 0.00 C ATOM 0 H ALA A 35 9.748 10.718 0.664 1.00 0.00 H new ATOM 0 HA ALA A 35 8.707 10.686 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.466 12.378 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.553 12.710 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.180 11.995 -0.791 1.00 0.00 H new ATOM 534 N GLU A 36 11.099 8.693 -1.445 1.00 0.00 N ATOM 535 CA GLU A 36 12.007 7.715 -2.033 1.00 0.00 C ATOM 536 C GLU A 36 11.268 6.425 -2.377 1.00 0.00 C ATOM 537 O GLU A 36 11.232 6.007 -3.534 1.00 0.00 O ATOM 538 CB GLU A 36 13.160 7.415 -1.074 1.00 0.00 C ATOM 539 CG GLU A 36 13.621 5.967 -1.110 1.00 0.00 C ATOM 540 CD GLU A 36 15.103 5.820 -0.824 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.899 5.862 -1.785 1.00 0.00 O ATOM 542 OE2 GLU A 36 15.466 5.662 0.360 1.00 0.00 O ATOM 0 H GLU A 36 10.908 8.549 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 36 12.410 8.139 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.003 8.062 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.851 7.664 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.055 5.391 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.400 5.543 -2.090 1.00 0.00 H new ATOM 549 N SER A 37 10.679 5.798 -1.363 1.00 0.00 N ATOM 550 CA SER A 37 9.945 4.554 -1.556 1.00 0.00 C ATOM 551 C SER A 37 8.966 4.318 -0.410 1.00 0.00 C ATOM 552 O SER A 37 8.980 5.034 0.592 1.00 0.00 O ATOM 553 CB SER A 37 10.915 3.376 -1.663 1.00 0.00 C ATOM 554 OG SER A 37 11.388 2.986 -0.386 1.00 0.00 O ATOM 0 H SER A 37 10.696 6.132 -0.399 1.00 0.00 H new ATOM 0 HA SER A 37 9.379 4.635 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.417 2.533 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.757 3.651 -2.298 1.00 0.00 H new ATOM 0 HG SER A 37 12.362 3.088 -0.353 1.00 0.00 H new ATOM 560 N LEU A 38 8.116 3.308 -0.565 1.00 0.00 N ATOM 561 CA LEU A 38 7.128 2.976 0.456 1.00 0.00 C ATOM 562 C LEU A 38 7.377 1.581 1.020 1.00 0.00 C ATOM 563 O LEU A 38 7.168 0.578 0.337 1.00 0.00 O ATOM 564 CB LEU A 38 5.716 3.059 -0.126 1.00 0.00 C ATOM 565 CG LEU A 38 4.615 2.374 0.683 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.033 3.331 1.712 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.523 1.850 -0.238 1.00 0.00 C ATOM 0 H LEU A 38 8.091 2.705 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 38 7.222 3.698 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.454 4.111 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.730 2.623 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 38 5.054 1.528 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.251 2.825 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.820 3.657 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.610 4.198 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.748 1.366 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.088 2.680 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.950 1.129 -0.935 1.00 0.00 H new ATOM 579 N SER A 39 7.821 1.524 2.272 1.00 0.00 N ATOM 580 CA SER A 39 8.099 0.252 2.927 1.00 0.00 C ATOM 581 C SER A 39 7.197 0.059 4.143 1.00 0.00 C ATOM 582 O SER A 39 6.719 1.027 4.734 1.00 0.00 O ATOM 583 CB SER A 39 9.567 0.183 3.351 1.00 0.00 C ATOM 584 OG SER A 39 9.966 -1.156 3.590 1.00 0.00 O ATOM 0 H SER A 39 7.996 2.344 2.853 1.00 0.00 H new ATOM 0 HA SER A 39 7.896 -0.548 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.194 0.620 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.717 0.777 4.253 1.00 0.00 H new ATOM 0 HG SER A 39 9.362 -1.767 3.118 1.00 0.00 H new ATOM 590 N TRP A 40 6.971 -1.197 4.510 1.00 0.00 N ATOM 591 CA TRP A 40 6.127 -1.518 5.656 1.00 0.00 C ATOM 592 C TRP A 40 6.910 -2.296 6.708 1.00 0.00 C ATOM 593 O TRP A 40 7.470 -3.354 6.422 1.00 0.00 O ATOM 594 CB TRP A 40 4.909 -2.327 5.207 1.00 0.00 C ATOM 595 CG TRP A 40 5.234 -3.366 4.176 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.516 -4.683 4.401 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.310 -3.173 2.760 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.764 -5.321 3.209 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.643 -4.416 2.187 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.128 -2.071 1.919 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.798 -4.585 0.814 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.283 -2.241 0.556 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.614 -3.490 0.014 1.00 0.00 C ATOM 0 H TRP A 40 7.360 -2.010 4.031 1.00 0.00 H new ATOM 0 HA TRP A 40 5.789 -0.582 6.101 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.464 -2.813 6.075 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.159 -1.647 4.804 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.541 -5.154 5.373 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.000 -6.308 3.102 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.871 -1.105 2.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.055 -5.547 0.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.147 -1.396 -0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.726 -3.590 -1.055 1.00 0.00 H new ATOM 614 N TYR A 41 6.946 -1.765 7.925 1.00 0.00 N ATOM 615 CA TYR A 41 7.663 -2.409 9.019 1.00 0.00 C ATOM 616 C TYR A 41 6.691 -2.948 10.064 1.00 0.00 C ATOM 617 O TYR A 41 5.474 -2.893 9.885 1.00 0.00 O ATOM 618 CB TYR A 41 8.635 -1.423 9.670 1.00 0.00 C ATOM 619 CG TYR A 41 9.510 -0.691 8.678 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.964 0.213 7.775 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.882 -0.904 8.642 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.759 0.884 6.866 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.686 -0.237 7.738 1.00 0.00 C ATOM 624 CZ TYR A 41 11.120 0.656 6.852 1.00 0.00 C ATOM 625 OH TYR A 41 11.916 1.321 5.948 1.00 0.00 O ATOM 0 H TYR A 41 6.487 -0.890 8.179 1.00 0.00 H new ATOM 0 HA TYR A 41 8.227 -3.246 8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.067 -0.694 10.248 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.270 -1.962 10.373 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.899 0.394 7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.328 -1.604 9.333 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.318 1.583 6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.751 -0.414 7.725 1.00 0.00 H new ATOM 0 HH TYR A 41 12.855 1.238 6.216 1.00 0.00 H new ATOM 635 N LYS A 42 7.238 -3.467 11.158 1.00 0.00 N ATOM 636 CA LYS A 42 6.422 -4.015 12.236 1.00 0.00 C ATOM 637 C LYS A 42 5.739 -2.901 13.022 1.00 0.00 C ATOM 638 O LYS A 42 4.545 -2.973 13.310 1.00 0.00 O ATOM 639 CB LYS A 42 7.283 -4.863 13.175 1.00 0.00 C ATOM 640 CG LYS A 42 7.448 -6.302 12.717 1.00 0.00 C ATOM 641 CD LYS A 42 6.159 -7.090 12.883 1.00 0.00 C ATOM 642 CE LYS A 42 6.059 -7.709 14.269 1.00 0.00 C ATOM 643 NZ LYS A 42 4.984 -8.737 14.341 1.00 0.00 N ATOM 0 H LYS A 42 8.243 -3.520 11.322 1.00 0.00 H new ATOM 0 HA LYS A 42 5.652 -4.645 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.268 -4.404 13.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.836 -4.856 14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.754 -6.319 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.243 -6.778 13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.306 -6.433 12.714 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.111 -7.875 12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.014 -8.163 14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.863 -6.927 15.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.948 -9.135 15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.069 -8.299 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.184 -9.496 13.659 1.00 0.00 H new ATOM 657 N ASP A 43 6.505 -1.870 13.364 1.00 0.00 N ATOM 658 CA ASP A 43 5.972 -0.739 14.115 1.00 0.00 C ATOM 659 C ASP A 43 6.564 0.574 13.611 1.00 0.00 C ATOM 660 O ASP A 43 7.320 0.592 12.641 1.00 0.00 O ATOM 661 CB ASP A 43 6.266 -0.906 15.607 1.00 0.00 C ATOM 662 CG ASP A 43 5.978 -2.310 16.100 1.00 0.00 C ATOM 663 OD1 ASP A 43 6.731 -3.235 15.730 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.999 -2.484 16.856 1.00 0.00 O ATOM 0 H ASP A 43 7.496 -1.794 13.133 1.00 0.00 H new ATOM 0 HA ASP A 43 4.893 -0.711 13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.312 -0.665 15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.666 -0.195 16.174 1.00 0.00 H new ATOM 669 N GLU A 44 6.214 1.669 14.278 1.00 0.00 N ATOM 670 CA GLU A 44 6.709 2.987 13.896 1.00 0.00 C ATOM 671 C GLU A 44 8.208 3.102 14.160 1.00 0.00 C ATOM 672 O GLU A 44 8.855 4.048 13.714 1.00 0.00 O ATOM 673 CB GLU A 44 5.960 4.080 14.661 1.00 0.00 C ATOM 674 CG GLU A 44 4.456 3.867 14.708 1.00 0.00 C ATOM 675 CD GLU A 44 3.729 4.998 15.410 1.00 0.00 C ATOM 676 OE1 GLU A 44 3.583 6.078 14.802 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.305 4.801 16.569 1.00 0.00 O ATOM 0 H GLU A 44 5.590 1.670 15.085 1.00 0.00 H new ATOM 0 HA GLU A 44 6.534 3.117 12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.344 4.127 15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.168 5.044 14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.074 3.770 13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.241 2.929 15.220 1.00 0.00 H new ATOM 684 N GLU A 45 8.750 2.132 14.889 1.00 0.00 N ATOM 685 CA GLU A 45 10.172 2.125 15.214 1.00 0.00 C ATOM 686 C GLU A 45 11.006 1.727 14.000 1.00 0.00 C ATOM 687 O GLU A 45 12.156 2.141 13.862 1.00 0.00 O ATOM 688 CB GLU A 45 10.449 1.166 16.373 1.00 0.00 C ATOM 689 CG GLU A 45 10.226 1.786 17.743 1.00 0.00 C ATOM 690 CD GLU A 45 11.100 1.163 18.814 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.325 -0.064 18.758 1.00 0.00 O ATOM 692 OE2 GLU A 45 11.559 1.903 19.709 1.00 0.00 O ATOM 0 H GLU A 45 8.227 1.341 15.266 1.00 0.00 H new ATOM 0 HA GLU A 45 10.455 3.135 15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.807 0.291 16.271 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.479 0.816 16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.428 2.856 17.691 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.179 1.673 18.023 1.00 0.00 H new ATOM 699 N GLU A 46 10.416 0.919 13.124 1.00 0.00 N ATOM 700 CA GLU A 46 11.106 0.464 11.922 1.00 0.00 C ATOM 701 C GLU A 46 12.394 -0.272 12.279 1.00 0.00 C ATOM 702 O GLU A 46 13.410 -0.135 11.598 1.00 0.00 O ATOM 703 CB GLU A 46 11.419 1.649 11.007 1.00 0.00 C ATOM 704 CG GLU A 46 10.191 2.444 10.597 1.00 0.00 C ATOM 705 CD GLU A 46 10.515 3.557 9.620 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.458 3.388 8.820 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.824 4.597 9.656 1.00 0.00 O ATOM 0 H GLU A 46 9.464 0.567 13.224 1.00 0.00 H new ATOM 0 HA GLU A 46 10.447 -0.227 11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.119 2.313 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.920 1.283 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.461 1.771 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.725 2.870 11.486 1.00 0.00 H new ATOM 714 N LYS A 47 12.344 -1.052 13.354 1.00 0.00 N ATOM 715 CA LYS A 47 13.505 -1.811 13.803 1.00 0.00 C ATOM 716 C LYS A 47 13.750 -3.016 12.901 1.00 0.00 C ATOM 717 O LYS A 47 14.889 -3.308 12.536 1.00 0.00 O ATOM 718 CB LYS A 47 13.308 -2.275 15.249 1.00 0.00 C ATOM 719 CG LYS A 47 12.064 -3.122 15.452 1.00 0.00 C ATOM 720 CD LYS A 47 11.735 -3.284 16.926 1.00 0.00 C ATOM 721 CE LYS A 47 10.240 -3.452 17.148 1.00 0.00 C ATOM 722 NZ LYS A 47 9.516 -2.154 17.052 1.00 0.00 N ATOM 0 H LYS A 47 11.511 -1.175 13.930 1.00 0.00 H new ATOM 0 HA LYS A 47 14.376 -1.158 13.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.182 -2.847 15.560 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.252 -1.401 15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.221 -2.660 14.939 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.213 -4.103 15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.263 -4.150 17.325 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.090 -2.413 17.477 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.839 -4.147 16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.066 -3.893 18.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.562 -2.258 17.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.036 -1.426 17.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.444 -1.870 16.054 1.00 0.00 H new ATOM 736 N GLU A 48 12.675 -3.711 12.543 1.00 0.00 N ATOM 737 CA GLU A 48 12.776 -4.884 11.683 1.00 0.00 C ATOM 738 C GLU A 48 12.011 -4.669 10.380 1.00 0.00 C ATOM 739 O GLU A 48 10.819 -4.966 10.289 1.00 0.00 O ATOM 740 CB GLU A 48 12.238 -6.121 12.405 1.00 0.00 C ATOM 741 CG GLU A 48 13.266 -6.804 13.291 1.00 0.00 C ATOM 742 CD GLU A 48 13.399 -6.140 14.648 1.00 0.00 C ATOM 743 OE1 GLU A 48 12.607 -6.476 15.553 1.00 0.00 O ATOM 744 OE2 GLU A 48 14.296 -5.285 14.805 1.00 0.00 O ATOM 0 H GLU A 48 11.725 -3.482 12.835 1.00 0.00 H new ATOM 0 HA GLU A 48 13.828 -5.040 11.446 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.381 -5.832 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.877 -6.835 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.986 -7.849 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.234 -6.796 12.790 1.00 0.00 H new ATOM 751 N LYS A 49 12.705 -4.151 9.372 1.00 0.00 N ATOM 752 CA LYS A 49 12.094 -3.897 8.073 1.00 0.00 C ATOM 753 C LYS A 49 11.725 -5.205 7.379 1.00 0.00 C ATOM 754 O LYS A 49 12.482 -6.175 7.419 1.00 0.00 O ATOM 755 CB LYS A 49 13.046 -3.089 7.188 1.00 0.00 C ATOM 756 CG LYS A 49 12.378 -2.494 5.961 1.00 0.00 C ATOM 757 CD LYS A 49 13.252 -1.436 5.308 1.00 0.00 C ATOM 758 CE LYS A 49 14.277 -2.060 4.373 1.00 0.00 C ATOM 759 NZ LYS A 49 14.617 -1.156 3.239 1.00 0.00 N ATOM 0 H LYS A 49 13.692 -3.899 9.430 1.00 0.00 H new ATOM 0 HA LYS A 49 11.182 -3.323 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.483 -2.285 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.866 -3.732 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.164 -3.285 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.422 -2.054 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.626 -0.739 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.764 -0.859 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.182 -2.297 4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.888 -3.001 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.333 -1.601 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.113 -0.253 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.642 -0.981 3.230 1.00 0.00 H new ATOM 773 N LYS A 50 10.559 -5.223 6.743 1.00 0.00 N ATOM 774 CA LYS A 50 10.090 -6.410 6.038 1.00 0.00 C ATOM 775 C LYS A 50 10.518 -6.378 4.574 1.00 0.00 C ATOM 776 O LYS A 50 11.370 -7.158 4.149 1.00 0.00 O ATOM 777 CB LYS A 50 8.567 -6.517 6.133 1.00 0.00 C ATOM 778 CG LYS A 50 8.011 -6.097 7.483 1.00 0.00 C ATOM 779 CD LYS A 50 8.657 -6.873 8.618 1.00 0.00 C ATOM 780 CE LYS A 50 7.889 -8.148 8.931 1.00 0.00 C ATOM 781 NZ LYS A 50 8.535 -8.932 10.020 1.00 0.00 N ATOM 0 H LYS A 50 9.921 -4.428 6.701 1.00 0.00 H new ATOM 0 HA LYS A 50 10.539 -7.283 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.118 -5.898 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.270 -7.546 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.177 -5.030 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.933 -6.257 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.684 -7.122 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.702 -6.246 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.869 -7.896 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.822 -8.761 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.981 -9.793 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.499 -9.195 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.576 -8.356 10.885 1.00 0.00 H new ATOM 795 N TYR A 51 9.921 -5.471 3.809 1.00 0.00 N ATOM 796 CA TYR A 51 10.240 -5.338 2.392 1.00 0.00 C ATOM 797 C TYR A 51 9.972 -3.917 1.905 1.00 0.00 C ATOM 798 O TYR A 51 8.989 -3.290 2.298 1.00 0.00 O ATOM 799 CB TYR A 51 9.423 -6.334 1.568 1.00 0.00 C ATOM 800 CG TYR A 51 9.775 -6.337 0.098 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.191 -5.429 -0.778 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.690 -7.247 -0.417 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.509 -5.427 -2.122 1.00 0.00 C ATOM 804 CE2 TYR A 51 11.014 -7.252 -1.759 1.00 0.00 C ATOM 805 CZ TYR A 51 10.421 -6.340 -2.608 1.00 0.00 C ATOM 806 OH TYR A 51 10.741 -6.343 -3.946 1.00 0.00 O ATOM 0 H TYR A 51 9.214 -4.817 4.146 1.00 0.00 H new ATOM 0 HA TYR A 51 11.301 -5.554 2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.573 -7.336 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.364 -6.102 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.476 -4.713 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.156 -7.963 0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.046 -4.714 -2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.728 -7.966 -2.142 1.00 0.00 H new ATOM 0 HH TYR A 51 11.399 -7.047 -4.123 1.00 0.00 H new ATOM 816 N MET A 52 10.853 -3.417 1.045 1.00 0.00 N ATOM 817 CA MET A 52 10.712 -2.071 0.502 1.00 0.00 C ATOM 818 C MET A 52 10.147 -2.114 -0.915 1.00 0.00 C ATOM 819 O MET A 52 10.398 -3.057 -1.666 1.00 0.00 O ATOM 820 CB MET A 52 12.062 -1.353 0.503 1.00 0.00 C ATOM 821 CG MET A 52 12.041 -0.017 -0.222 1.00 0.00 C ATOM 822 SD MET A 52 13.692 0.663 -0.474 1.00 0.00 S ATOM 823 CE MET A 52 13.951 0.287 -2.206 1.00 0.00 C ATOM 0 H MET A 52 11.672 -3.924 0.709 1.00 0.00 H new ATOM 0 HA MET A 52 10.016 -1.521 1.136 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.378 -1.193 1.534 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.807 -1.998 0.038 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.552 -0.140 -1.188 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.443 0.693 0.350 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.933 0.647 -2.513 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.896 -0.791 -2.356 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.182 0.777 -2.804 1.00 0.00 H new ATOM 833 N LEU A 53 9.383 -1.088 -1.273 1.00 0.00 N ATOM 834 CA LEU A 53 8.782 -1.008 -2.600 1.00 0.00 C ATOM 835 C LEU A 53 8.854 0.415 -3.146 1.00 0.00 C ATOM 836 O LEU A 53 8.517 1.384 -2.466 1.00 0.00 O ATOM 837 CB LEU A 53 7.327 -1.475 -2.551 1.00 0.00 C ATOM 838 CG LEU A 53 6.773 -2.081 -3.841 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.329 -3.480 -4.055 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.251 -2.110 -3.806 1.00 0.00 C ATOM 0 H LEU A 53 9.165 -0.300 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 53 9.345 -1.662 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.230 -2.214 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.703 -0.625 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 53 7.086 -1.456 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.924 -3.895 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.416 -3.433 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.047 -4.116 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.874 -2.544 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.918 -2.712 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.870 -1.094 -3.700 1.00 0.00 H new ATOM 852 N PRO A 54 9.301 0.545 -4.403 1.00 0.00 N ATOM 853 CA PRO A 54 9.424 1.845 -5.069 1.00 0.00 C ATOM 854 C PRO A 54 8.067 2.466 -5.383 1.00 0.00 C ATOM 855 O PRO A 54 7.024 1.859 -5.140 1.00 0.00 O ATOM 856 CB PRO A 54 10.172 1.511 -6.363 1.00 0.00 C ATOM 857 CG PRO A 54 9.857 0.079 -6.624 1.00 0.00 C ATOM 858 CD PRO A 54 9.720 -0.568 -5.273 1.00 0.00 C ATOM 0 HA PRO A 54 9.933 2.577 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.842 2.145 -7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.245 1.666 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.936 -0.019 -7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.648 -0.395 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.981 -1.369 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.661 -1.006 -4.940 1.00 0.00 H new ATOM 866 N LEU A 55 8.089 3.679 -5.926 1.00 0.00 N ATOM 867 CA LEU A 55 6.859 4.383 -6.274 1.00 0.00 C ATOM 868 C LEU A 55 6.882 4.828 -7.733 1.00 0.00 C ATOM 869 O LEU A 55 6.271 5.834 -8.094 1.00 0.00 O ATOM 870 CB LEU A 55 6.666 5.595 -5.362 1.00 0.00 C ATOM 871 CG LEU A 55 6.871 5.349 -3.866 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.850 6.663 -3.101 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.806 4.401 -3.332 1.00 0.00 C ATOM 0 H LEU A 55 8.944 4.195 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 55 6.024 3.696 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.356 6.377 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.657 5.980 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 55 7.847 4.886 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.997 6.468 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.649 7.309 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.889 7.155 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.966 4.237 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.819 4.838 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.869 3.449 -3.859 1.00 0.00 H new ATOM 885 N ASP A 56 7.588 4.072 -8.566 1.00 0.00 N ATOM 886 CA ASP A 56 7.687 4.387 -9.987 1.00 0.00 C ATOM 887 C ASP A 56 7.052 3.288 -10.833 1.00 0.00 C ATOM 888 O ASP A 56 6.361 3.566 -11.812 1.00 0.00 O ATOM 889 CB ASP A 56 9.151 4.576 -10.388 1.00 0.00 C ATOM 890 CG ASP A 56 9.611 6.013 -10.241 1.00 0.00 C ATOM 891 OD1 ASP A 56 8.918 6.914 -10.759 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.664 6.236 -9.607 1.00 0.00 O ATOM 0 H ASP A 56 8.100 3.237 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 56 7.146 5.316 -10.167 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.779 3.932 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.285 4.259 -11.422 1.00 0.00 H new ATOM 897 N ASN A 57 7.293 2.039 -10.448 1.00 0.00 N ATOM 898 CA ASN A 57 6.746 0.897 -11.172 1.00 0.00 C ATOM 899 C ASN A 57 5.460 0.402 -10.517 1.00 0.00 C ATOM 900 O ASN A 57 5.164 -0.793 -10.529 1.00 0.00 O ATOM 901 CB ASN A 57 7.772 -0.237 -11.229 1.00 0.00 C ATOM 902 CG ASN A 57 9.140 0.243 -11.672 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.083 0.282 -10.881 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.255 0.613 -12.942 1.00 0.00 N ATOM 0 H ASN A 57 7.863 1.792 -9.639 1.00 0.00 H new ATOM 0 HA ASN A 57 6.515 1.220 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.853 -0.700 -10.245 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.420 -1.007 -11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.151 0.946 -13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.447 0.564 -13.563 1.00 0.00 H new ATOM 911 N LEU A 58 4.699 1.330 -9.946 1.00 0.00 N ATOM 912 CA LEU A 58 3.443 0.989 -9.286 1.00 0.00 C ATOM 913 C LEU A 58 2.308 1.878 -9.782 1.00 0.00 C ATOM 914 O LEU A 58 2.529 2.813 -10.552 1.00 0.00 O ATOM 915 CB LEU A 58 3.588 1.126 -7.769 1.00 0.00 C ATOM 916 CG LEU A 58 4.769 0.388 -7.138 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.797 0.612 -5.634 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.701 -1.099 -7.457 1.00 0.00 C ATOM 0 H LEU A 58 4.930 2.323 -9.927 1.00 0.00 H new ATOM 0 HA LEU A 58 3.202 -0.046 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.676 2.185 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.670 0.768 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 58 5.690 0.788 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.644 0.079 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.895 1.678 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.872 0.240 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.549 -1.608 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.773 -1.514 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.732 -1.241 -8.537 1.00 0.00 H new ATOM 930 N LYS A 59 1.093 1.582 -9.335 1.00 0.00 N ATOM 931 CA LYS A 59 -0.078 2.356 -9.730 1.00 0.00 C ATOM 932 C LYS A 59 -1.281 2.006 -8.860 1.00 0.00 C ATOM 933 O LYS A 59 -1.421 0.869 -8.407 1.00 0.00 O ATOM 934 CB LYS A 59 -0.410 2.102 -11.203 1.00 0.00 C ATOM 935 CG LYS A 59 -1.336 3.144 -11.806 1.00 0.00 C ATOM 936 CD LYS A 59 -0.558 4.300 -12.410 1.00 0.00 C ATOM 937 CE LYS A 59 -0.302 5.395 -11.385 1.00 0.00 C ATOM 938 NZ LYS A 59 -0.019 6.706 -12.034 1.00 0.00 N ATOM 0 H LYS A 59 0.893 0.811 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 59 0.153 3.412 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.517 2.076 -11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.871 1.119 -11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.955 2.681 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.011 3.521 -11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.392 3.936 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.112 4.712 -13.253 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.170 5.492 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.541 5.112 -10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.150 7.426 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.824 6.620 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.833 6.988 -12.616 1.00 0.00 H new ATOM 952 N ILE A 60 -2.146 2.988 -8.632 1.00 0.00 N ATOM 953 CA ILE A 60 -3.338 2.782 -7.818 1.00 0.00 C ATOM 954 C ILE A 60 -4.598 2.786 -8.677 1.00 0.00 C ATOM 955 O ILE A 60 -4.778 3.657 -9.528 1.00 0.00 O ATOM 956 CB ILE A 60 -3.469 3.862 -6.728 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.212 3.893 -5.856 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.705 3.608 -5.877 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.151 5.085 -4.927 1.00 0.00 C ATOM 0 H ILE A 60 -2.044 3.934 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.230 1.808 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.577 4.833 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.167 2.979 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.333 3.899 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.784 4.379 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.593 3.632 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.624 2.631 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.234 5.042 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.164 6.004 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.011 5.069 -4.258 1.00 0.00 H new ATOM 971 N ARG A 61 -5.468 1.808 -8.447 1.00 0.00 N ATOM 972 CA ARG A 61 -6.712 1.699 -9.200 1.00 0.00 C ATOM 973 C ARG A 61 -7.901 1.520 -8.261 1.00 0.00 C ATOM 974 O ARG A 61 -7.857 0.710 -7.335 1.00 0.00 O ATOM 975 CB ARG A 61 -6.639 0.526 -10.179 1.00 0.00 C ATOM 976 CG ARG A 61 -6.273 -0.794 -9.521 1.00 0.00 C ATOM 977 CD ARG A 61 -6.076 -1.894 -10.552 1.00 0.00 C ATOM 978 NE ARG A 61 -6.313 -3.221 -9.989 1.00 0.00 N ATOM 979 CZ ARG A 61 -5.897 -4.346 -10.559 1.00 0.00 C ATOM 980 NH1 ARG A 61 -5.226 -4.306 -11.702 1.00 0.00 N ATOM 981 NH2 ARG A 61 -6.152 -5.516 -9.986 1.00 0.00 N ATOM 0 H ARG A 61 -5.334 1.080 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.851 2.623 -9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.603 0.419 -10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.904 0.753 -10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.359 -0.671 -8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.058 -1.084 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.753 -1.730 -11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.061 -1.844 -10.946 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.826 -3.287 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.028 -3.409 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.908 -5.172 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.668 -5.552 -9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.832 -6.379 -10.425 1.00 0.00 H new ATOM 995 N ASP A 62 -8.962 2.281 -8.506 1.00 0.00 N ATOM 996 CA ASP A 62 -10.163 2.206 -7.683 1.00 0.00 C ATOM 997 C ASP A 62 -10.946 0.930 -7.980 1.00 0.00 C ATOM 998 O ASP A 62 -11.617 0.825 -9.007 1.00 0.00 O ATOM 999 CB ASP A 62 -11.049 3.430 -7.923 1.00 0.00 C ATOM 1000 CG ASP A 62 -10.301 4.733 -7.726 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -9.193 4.873 -8.287 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -10.823 5.614 -7.012 1.00 0.00 O ATOM 0 H ASP A 62 -9.015 2.957 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.857 2.188 -6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.448 3.393 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.901 3.397 -7.244 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.563 -1.491 2.354 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.555 -0.625 2.954 1.00 0.00 C ATOM 1131 C LYS A 71 -13.680 0.016 1.881 1.00 0.00 C ATOM 1132 O LYS A 71 -13.497 -0.543 0.799 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.685 -1.420 3.929 1.00 0.00 C ATOM 1134 CG LYS A 71 -12.706 -2.359 3.244 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.314 -3.734 3.024 1.00 0.00 C ATOM 1136 CE LYS A 71 -12.648 -4.457 1.863 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.330 -4.175 0.570 1.00 0.00 N ATOM 0 HA LYS A 71 -15.070 0.167 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.129 -0.724 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.330 -2.000 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.404 -1.936 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.804 -2.451 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.211 -4.328 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.382 -3.634 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.603 -4.153 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.656 -5.531 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.836 -4.672 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.315 -4.504 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.315 -3.152 0.386 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.141 1.192 2.188 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.283 1.907 1.251 1.00 0.00 C ATOM 1153 C HIS A 72 -10.908 1.252 1.164 1.00 0.00 C ATOM 1154 O HIS A 72 -10.069 1.426 2.048 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.138 3.370 1.673 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.403 3.967 2.208 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.395 4.479 1.398 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.837 4.129 3.480 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.382 4.933 2.149 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.069 4.732 3.416 1.00 0.00 N ATOM 0 H HIS A 72 -13.283 1.669 3.078 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.749 1.865 0.266 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.361 3.445 2.433 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.804 3.955 0.816 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.312 3.838 4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.291 5.391 1.788 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.648 4.984 4.217 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.683 0.497 0.093 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.410 -0.184 -0.110 1.00 0.00 C ATOM 1171 C VAL A 73 -8.931 -0.037 -1.549 1.00 0.00 C ATOM 1172 O VAL A 73 -9.670 -0.320 -2.493 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.514 -1.681 0.235 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.841 -2.249 -0.244 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.347 -2.448 -0.368 1.00 0.00 C ATOM 0 H VAL A 73 -11.367 0.342 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.689 0.286 0.559 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.470 -1.790 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.896 -3.308 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.660 -1.717 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.919 -2.129 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.436 -3.504 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.357 -2.333 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.410 -2.057 0.030 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.689 0.407 -1.712 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.110 0.592 -3.037 1.00 0.00 C ATOM 1187 C PHE A 74 -5.989 -0.412 -3.286 1.00 0.00 C ATOM 1188 O PHE A 74 -5.087 -0.569 -2.463 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.577 2.018 -3.190 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.498 2.363 -2.203 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -4.180 2.010 -2.445 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -5.803 3.039 -1.033 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -3.185 2.327 -1.540 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -4.812 3.358 -0.123 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.502 3.001 -0.377 1.00 0.00 C ATOM 0 H PHE A 74 -7.064 0.645 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.894 0.424 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.189 2.146 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.402 2.720 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.927 1.481 -3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.826 3.320 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.161 2.048 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.062 3.886 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.727 3.249 0.333 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.053 -1.091 -4.427 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.043 -2.079 -4.786 1.00 0.00 C ATOM 1207 C ALA A 75 -3.899 -1.437 -5.564 1.00 0.00 C ATOM 1208 O ALA A 75 -4.113 -0.523 -6.360 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.669 -3.204 -5.597 1.00 0.00 C ATOM 0 H ALA A 75 -6.794 -0.975 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.634 -2.494 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.903 -3.934 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.447 -3.689 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.107 -2.796 -6.508 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.684 -1.921 -5.327 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.507 -1.394 -6.006 1.00 0.00 C ATOM 1217 C ILE A 76 -0.890 -2.440 -6.929 1.00 0.00 C ATOM 1218 O ILE A 76 -0.446 -3.496 -6.478 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.441 -0.920 -5.000 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -0.982 0.236 -4.158 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.827 -0.504 -5.729 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.089 0.606 -2.994 1.00 0.00 C ATOM 0 H ILE A 76 -2.489 -2.677 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.840 -0.542 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.198 -1.747 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.113 1.110 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.968 -0.032 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.571 -0.172 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.220 -1.353 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.601 0.311 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.535 1.433 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.022 -0.254 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.890 0.906 -3.368 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.863 -2.138 -8.222 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.300 -3.052 -9.209 1.00 0.00 C ATOM 1236 C PHE A 77 0.933 -2.444 -9.872 1.00 0.00 C ATOM 1237 O PHE A 77 1.133 -1.230 -9.839 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.345 -3.397 -10.272 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.742 -2.227 -11.125 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -2.761 -1.377 -10.729 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -1.095 -1.977 -12.325 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -3.128 -0.299 -11.512 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -1.457 -0.900 -13.112 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.476 -0.061 -12.706 1.00 0.00 C ATOM 0 H PHE A 77 -1.224 -1.267 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.002 -3.965 -8.693 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.953 -4.187 -10.913 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.233 -3.796 -9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.275 -1.559 -9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.299 -2.631 -12.649 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.924 0.357 -11.191 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.943 -0.715 -14.044 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.762 0.779 -13.321 1.00 0.00 H new ATOM 1254 N ASN A 78 1.757 -3.297 -10.472 1.00 0.00 N ATOM 1255 CA ASN A 78 2.971 -2.845 -11.141 1.00 0.00 C ATOM 1256 C ASN A 78 2.715 -2.600 -12.625 1.00 0.00 C ATOM 1257 O ASN A 78 2.401 -3.526 -13.374 1.00 0.00 O ATOM 1258 CB ASN A 78 4.088 -3.877 -10.968 1.00 0.00 C ATOM 1259 CG ASN A 78 4.804 -3.736 -9.639 1.00 0.00 C ATOM 1260 OD1 ASN A 78 4.205 -3.907 -8.577 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.093 -3.421 -9.692 1.00 0.00 N ATOM 0 H ASN A 78 1.606 -4.305 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 78 3.280 -1.905 -10.684 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.668 -4.880 -11.047 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.808 -3.768 -11.779 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.627 -3.311 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.549 -3.289 -10.595 1.00 0.00 H new ATOM 1268 N THR A 79 2.851 -1.346 -13.045 1.00 0.00 N ATOM 1269 CA THR A 79 2.634 -0.979 -14.438 1.00 0.00 C ATOM 1270 C THR A 79 3.478 -1.840 -15.372 1.00 0.00 C ATOM 1271 O THR A 79 3.138 -2.020 -16.540 1.00 0.00 O ATOM 1272 CB THR A 79 2.967 0.505 -14.686 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.313 0.780 -14.281 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.008 1.409 -13.926 1.00 0.00 C ATOM 0 H THR A 79 3.111 -0.567 -12.439 1.00 0.00 H new ATOM 0 HA THR A 79 1.578 -1.148 -14.648 1.00 0.00 H new ATOM 0 HB THR A 79 2.862 0.705 -15.752 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.517 1.725 -14.444 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.263 2.452 -14.116 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.988 1.218 -14.258 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.086 1.206 -12.858 1.00 0.00 H new ATOM 1282 N GLU A 80 4.579 -2.369 -14.847 1.00 0.00 N ATOM 1283 CA GLU A 80 5.471 -3.212 -15.635 1.00 0.00 C ATOM 1284 C GLU A 80 4.916 -4.628 -15.756 1.00 0.00 C ATOM 1285 O GLU A 80 3.970 -4.996 -15.060 1.00 0.00 O ATOM 1286 CB GLU A 80 6.863 -3.250 -15.003 1.00 0.00 C ATOM 1287 CG GLU A 80 7.592 -1.918 -15.054 1.00 0.00 C ATOM 1288 CD GLU A 80 7.777 -1.408 -16.470 1.00 0.00 C ATOM 1289 OE1 GLU A 80 6.781 -0.952 -17.070 1.00 0.00 O ATOM 1290 OE2 GLU A 80 8.916 -1.465 -16.978 1.00 0.00 O ATOM 0 H GLU A 80 4.874 -2.229 -13.881 1.00 0.00 H new ATOM 0 HA GLU A 80 5.545 -2.783 -16.634 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.772 -3.565 -13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.464 -4.003 -15.513 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.035 -1.181 -14.476 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.568 -2.024 -14.579 1.00 0.00 H new ATOM 1352 N VAL A 84 3.596 -7.926 -8.058 1.00 0.00 N ATOM 1353 CA VAL A 84 3.879 -6.894 -7.067 1.00 0.00 C ATOM 1354 C VAL A 84 4.515 -7.493 -5.818 1.00 0.00 C ATOM 1355 O VAL A 84 5.629 -7.129 -5.440 1.00 0.00 O ATOM 1356 CB VAL A 84 2.601 -6.135 -6.666 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.859 -5.259 -5.450 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.086 -5.305 -7.832 1.00 0.00 C ATOM 0 HA VAL A 84 4.577 -6.195 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 84 1.835 -6.864 -6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.944 -4.730 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.177 -5.882 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.641 -4.536 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.182 -4.775 -7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.847 -4.584 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.859 -5.960 -8.673 1.00 0.00 H new ATOM 1368 N TYR A 85 3.801 -8.414 -5.180 1.00 0.00 N ATOM 1369 CA TYR A 85 4.295 -9.063 -3.972 1.00 0.00 C ATOM 1370 C TYR A 85 4.780 -10.477 -4.272 1.00 0.00 C ATOM 1371 O TYR A 85 4.742 -10.930 -5.416 1.00 0.00 O ATOM 1372 CB TYR A 85 3.198 -9.103 -2.905 1.00 0.00 C ATOM 1373 CG TYR A 85 3.729 -9.243 -1.497 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.483 -8.232 -0.914 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.477 -10.387 -0.749 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.970 -8.356 0.373 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.959 -10.518 0.539 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.706 -9.500 1.096 1.00 0.00 C ATOM 1379 OH TYR A 85 5.189 -9.629 2.378 1.00 0.00 O ATOM 0 H TYR A 85 2.878 -8.728 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 85 5.138 -8.482 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.604 -8.191 -2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.527 -9.936 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.692 -7.334 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.895 -11.187 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.555 -7.560 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.752 -11.413 1.107 1.00 0.00 H new ATOM 0 HH TYR A 85 4.912 -10.494 2.746 1.00 0.00 H new ATOM 1389 N LYS A 86 5.236 -11.172 -3.235 1.00 0.00 N ATOM 1390 CA LYS A 86 5.728 -12.536 -3.384 1.00 0.00 C ATOM 1391 C LYS A 86 4.822 -13.343 -4.307 1.00 0.00 C ATOM 1392 O LYS A 86 5.222 -13.723 -5.408 1.00 0.00 O ATOM 1393 CB LYS A 86 5.820 -13.219 -2.017 1.00 0.00 C ATOM 1394 CG LYS A 86 6.906 -12.646 -1.123 1.00 0.00 C ATOM 1395 CD LYS A 86 6.943 -13.344 0.226 1.00 0.00 C ATOM 1396 CE LYS A 86 8.200 -12.986 1.005 1.00 0.00 C ATOM 1397 NZ LYS A 86 9.358 -13.834 0.610 1.00 0.00 N ATOM 0 H LYS A 86 5.275 -10.812 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 86 6.722 -12.491 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.859 -13.130 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.005 -14.283 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.874 -12.748 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.734 -11.580 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.063 -13.065 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.899 -14.423 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.444 -11.937 0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.011 -13.103 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.195 -13.559 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.135 -14.833 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.555 -13.703 -0.403 1.00 0.00 H new ATOM 1411 N ASP A 87 3.601 -13.601 -3.853 1.00 0.00 N ATOM 1412 CA ASP A 87 2.637 -14.361 -4.640 1.00 0.00 C ATOM 1413 C ASP A 87 1.275 -13.673 -4.644 1.00 0.00 C ATOM 1414 O ASP A 87 0.239 -14.323 -4.501 1.00 0.00 O ATOM 1415 CB ASP A 87 2.502 -15.782 -4.088 1.00 0.00 C ATOM 1416 CG ASP A 87 1.507 -16.615 -4.871 1.00 0.00 C ATOM 1417 OD1 ASP A 87 1.892 -17.160 -5.927 1.00 0.00 O ATOM 1418 OD2 ASP A 87 0.344 -16.722 -4.429 1.00 0.00 O ATOM 0 H ASP A 87 3.255 -13.295 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 87 3.002 -14.411 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.476 -16.271 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.191 -15.735 -3.044 1.00 0.00 H new ATOM 1423 N LEU A 88 1.285 -12.355 -4.807 1.00 0.00 N ATOM 1424 CA LEU A 88 0.051 -11.577 -4.828 1.00 0.00 C ATOM 1425 C LEU A 88 0.077 -10.545 -5.951 1.00 0.00 C ATOM 1426 O LEU A 88 0.757 -9.523 -5.852 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.159 -10.879 -3.483 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.036 -11.764 -2.242 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.057 -10.917 -0.979 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.151 -12.798 -2.211 1.00 0.00 C ATOM 0 H LEU A 88 2.134 -11.802 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.778 -12.262 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.565 -10.068 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.149 -10.423 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 88 0.918 -12.290 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.032 -11.563 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.777 -10.216 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.995 -10.364 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.047 -13.419 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.116 -12.292 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.090 -13.426 -3.100 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.669 -10.818 -7.016 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.732 -9.913 -8.157 1.00 0.00 C ATOM 1444 C ARG A 89 -0.765 -8.459 -7.696 1.00 0.00 C ATOM 1445 O ARG A 89 -0.008 -7.624 -8.191 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.965 -10.217 -9.009 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.780 -9.901 -10.485 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.231 -11.097 -11.246 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.294 -11.987 -11.707 1.00 0.00 N ATOM 1450 CZ ARG A 89 -3.015 -11.765 -12.800 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.789 -10.688 -13.540 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -3.965 -12.621 -13.155 1.00 0.00 N ATOM 0 H ARG A 89 -1.238 -11.659 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 89 0.164 -10.065 -8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.219 -11.271 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.810 -9.644 -8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.735 -9.601 -10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.101 -9.056 -10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.654 -10.748 -12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.546 -11.652 -10.604 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.493 -12.824 -11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.060 -10.028 -13.270 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.344 -10.520 -14.379 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.142 -13.450 -12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.518 -12.450 -13.995 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.647 -8.164 -6.747 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.780 -6.811 -6.221 1.00 0.00 C ATOM 1468 C GLN A 90 -2.067 -6.835 -4.723 1.00 0.00 C ATOM 1469 O GLN A 90 -2.805 -7.692 -4.237 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.894 -6.062 -6.954 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.169 -6.874 -7.115 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.082 -6.772 -5.910 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.697 -6.240 -4.868 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.300 -7.282 -6.045 1.00 0.00 N ATOM 0 H GLN A 90 -2.280 -8.844 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.836 -6.291 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.123 -5.145 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.534 -5.767 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.704 -6.532 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.911 -7.920 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.577 -7.714 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.959 -7.242 -5.267 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.480 -5.889 -3.998 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.675 -5.802 -2.556 1.00 0.00 C ATOM 1485 C ILE A 91 -2.797 -4.830 -2.210 1.00 0.00 C ATOM 1486 O ILE A 91 -2.756 -3.659 -2.588 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.386 -5.356 -1.840 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.747 -6.345 -2.120 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.628 -5.229 -0.343 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.107 -5.844 -1.686 1.00 0.00 C ATOM 0 H ILE A 91 -0.866 -5.172 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.945 -6.801 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.094 -4.379 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.534 -7.283 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.773 -6.563 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.292 -4.913 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.408 -4.490 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.941 -6.193 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.862 -6.596 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.341 -4.921 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.099 -5.653 -0.613 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.799 -5.323 -1.489 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.933 -4.497 -1.092 1.00 0.00 C ATOM 1504 C GLU A 92 -4.690 -3.859 0.273 1.00 0.00 C ATOM 1505 O GLU A 92 -4.217 -4.516 1.202 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.214 -5.333 -1.056 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.684 -5.785 -2.428 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.822 -6.786 -2.354 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -7.558 -7.960 -2.019 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.975 -6.395 -2.631 1.00 0.00 O ATOM 0 H GLU A 92 -3.848 -6.290 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.047 -3.703 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.048 -6.210 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.005 -4.750 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.006 -4.916 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.847 -6.231 -2.966 1.00 0.00 H new ATOM 1517 N LEU A 93 -5.015 -2.576 0.387 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.832 -1.849 1.638 1.00 0.00 C ATOM 1519 C LEU A 93 -6.130 -1.172 2.069 1.00 0.00 C ATOM 1520 O LEU A 93 -6.640 -0.289 1.379 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.725 -0.804 1.486 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.364 -1.331 1.030 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.517 -0.202 0.463 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.643 -2.013 2.183 1.00 0.00 C ATOM 0 H LEU A 93 -5.407 -2.018 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.544 -2.565 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.059 -0.051 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.595 -0.300 2.443 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.526 -2.067 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.552 -0.596 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.028 0.243 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.363 0.558 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.676 -2.382 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.493 -1.298 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.243 -2.848 2.544 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.657 -1.590 3.215 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.892 -1.021 3.740 1.00 0.00 C ATOM 1538 C ALA A 94 -7.604 0.150 4.673 1.00 0.00 C ATOM 1539 O ALA A 94 -6.458 0.379 5.061 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.699 -2.089 4.464 1.00 0.00 C ATOM 0 H ALA A 94 -6.248 -2.321 3.798 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.476 -0.647 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.619 -1.650 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.944 -2.893 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.113 -2.490 5.291 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.650 0.888 5.028 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.508 2.037 5.915 1.00 0.00 C ATOM 1548 C CYS A 95 -9.652 2.090 6.923 1.00 0.00 C ATOM 1549 O CYS A 95 -10.555 1.254 6.897 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.468 3.332 5.103 1.00 0.00 C ATOM 1551 SG CYS A 95 -10.098 3.968 4.646 1.00 0.00 S ATOM 0 H CYS A 95 -9.605 0.711 4.716 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.571 1.930 6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.941 4.093 5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.889 3.161 4.195 1.00 0.00 H new ATOM 0 HG CYS A 95 -10.075 5.268 4.655 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.605 3.077 7.811 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.637 3.239 8.829 1.00 0.00 C ATOM 1559 C ASP A 96 -11.805 4.059 8.293 1.00 0.00 C ATOM 1560 O ASP A 96 -12.958 3.829 8.658 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.054 3.911 10.074 1.00 0.00 C ATOM 1562 CG ASP A 96 -8.731 3.302 10.495 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -8.750 2.246 11.161 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -7.677 3.881 10.159 1.00 0.00 O ATOM 0 H ASP A 96 -8.864 3.777 7.847 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.005 2.249 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.915 4.974 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.766 3.829 10.895 1.00 0.00 H new ATOM 1569 N SER A 97 -11.499 5.018 7.425 1.00 0.00 N ATOM 1570 CA SER A 97 -12.524 5.877 6.841 1.00 0.00 C ATOM 1571 C SER A 97 -11.990 6.597 5.606 1.00 0.00 C ATOM 1572 O SER A 97 -10.780 6.717 5.420 1.00 0.00 O ATOM 1573 CB SER A 97 -13.010 6.899 7.871 1.00 0.00 C ATOM 1574 OG SER A 97 -14.341 7.301 7.601 1.00 0.00 O ATOM 0 H SER A 97 -10.550 5.220 7.110 1.00 0.00 H new ATOM 0 HA SER A 97 -13.362 5.248 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.953 6.468 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.355 7.770 7.861 1.00 0.00 H new ATOM 0 HG SER A 97 -14.629 7.953 8.274 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.904 7.073 4.767 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.526 7.781 3.549 1.00 0.00 C ATOM 1582 C GLN A 98 -11.404 8.776 3.824 1.00 0.00 C ATOM 1583 O GLN A 98 -10.463 8.897 3.040 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.736 8.508 2.960 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.455 9.172 1.622 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.646 8.229 0.451 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.626 8.329 -0.289 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.709 7.304 0.275 1.00 0.00 N ATOM 0 H GLN A 98 -13.910 6.982 4.908 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.167 7.046 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.553 7.797 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.075 9.265 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.114 10.032 1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.433 9.550 1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.913 7.256 0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.785 6.641 -0.497 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.511 9.488 4.942 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.505 10.474 5.319 1.00 0.00 C ATOM 1599 C GLU A 99 -9.098 9.941 5.061 1.00 0.00 C ATOM 1600 O GLU A 99 -8.335 10.520 4.287 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.657 10.853 6.793 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.638 11.988 7.032 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.038 13.349 6.735 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -10.197 13.440 5.817 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -11.411 14.324 7.422 1.00 0.00 O ATOM 0 H GLU A 99 -12.284 9.400 5.602 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.656 11.363 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.985 9.977 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.682 11.137 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.519 11.839 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.974 11.961 8.069 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.762 8.836 5.716 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.447 8.224 5.559 1.00 0.00 C ATOM 1614 C ASP A 100 -7.084 8.087 4.084 1.00 0.00 C ATOM 1615 O ASP A 100 -6.136 8.710 3.607 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.416 6.852 6.235 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.203 6.949 7.732 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.141 7.374 8.438 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -6.098 6.600 8.199 1.00 0.00 O ATOM 0 H ASP A 100 -9.381 8.345 6.361 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.712 8.872 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.353 6.332 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.619 6.252 5.796 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.845 7.267 3.366 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.604 7.048 1.945 1.00 0.00 C ATOM 1626 C VAL A 101 -7.536 8.370 1.189 1.00 0.00 C ATOM 1627 O VAL A 101 -6.482 8.751 0.679 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.702 6.167 1.319 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.540 6.105 -0.192 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.675 4.772 1.924 1.00 0.00 C ATOM 0 H VAL A 101 -8.634 6.743 3.745 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.646 6.536 1.862 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.671 6.614 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.324 5.478 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.614 7.110 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.566 5.682 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.457 4.163 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.704 4.313 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.844 4.838 2.999 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.665 9.065 1.122 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.734 10.347 0.429 1.00 0.00 C ATOM 1642 C ASP A 102 -7.429 11.120 0.587 1.00 0.00 C ATOM 1643 O ASP A 102 -6.941 11.734 -0.362 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.901 11.178 0.964 1.00 0.00 C ATOM 1645 CG ASP A 102 -10.322 12.272 0.002 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.518 13.198 -0.230 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -11.456 12.202 -0.517 1.00 0.00 O ATOM 0 H ASP A 102 -9.546 8.763 1.539 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.894 10.151 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.750 10.523 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.618 11.625 1.917 1.00 0.00 H new ATOM 1652 N SER A 103 -6.868 11.087 1.791 1.00 0.00 N ATOM 1653 CA SER A 103 -5.622 11.788 2.075 1.00 0.00 C ATOM 1654 C SER A 103 -4.428 11.025 1.509 1.00 0.00 C ATOM 1655 O SER A 103 -3.537 11.612 0.895 1.00 0.00 O ATOM 1656 CB SER A 103 -5.451 11.979 3.583 1.00 0.00 C ATOM 1657 OG SER A 103 -4.712 13.154 3.868 1.00 0.00 O ATOM 0 H SER A 103 -7.257 10.581 2.587 1.00 0.00 H new ATOM 0 HA SER A 103 -5.667 12.766 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.430 12.037 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.942 11.114 4.007 1.00 0.00 H new ATOM 0 HG SER A 103 -4.618 13.254 4.838 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.418 9.714 1.720 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.334 8.870 1.231 1.00 0.00 C ATOM 1665 C TRP A 104 -3.136 9.053 -0.270 1.00 0.00 C ATOM 1666 O TRP A 104 -2.017 9.270 -0.736 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.624 7.401 1.543 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.098 6.962 2.876 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.832 6.631 3.979 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.723 6.808 3.246 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.997 6.281 5.012 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.698 6.380 4.588 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.511 6.989 2.574 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.509 6.133 5.268 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.668 6.742 3.250 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.663 6.317 4.586 1.00 0.00 C ATOM 0 H TRP A 104 -5.148 9.212 2.226 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.417 9.169 1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.701 7.236 1.513 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.185 6.778 0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.911 6.643 4.031 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.296 5.994 5.944 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.497 7.316 1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.511 5.808 6.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.610 6.879 2.740 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.602 6.131 5.086 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.227 8.966 -1.022 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.174 9.124 -2.470 1.00 0.00 C ATOM 1689 C LYS A 105 -3.463 10.419 -2.851 1.00 0.00 C ATOM 1690 O LYS A 105 -2.535 10.414 -3.659 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.587 9.114 -3.058 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.192 7.724 -3.161 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.574 7.764 -3.792 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.891 6.469 -4.523 1.00 0.00 C ATOM 1695 NZ LYS A 105 -7.375 6.480 -5.920 1.00 0.00 N ATOM 0 H LYS A 105 -5.160 8.787 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.610 8.286 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.233 9.738 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.562 9.565 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.538 7.084 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.257 7.280 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.323 7.940 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.633 8.600 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.454 5.630 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.970 6.314 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.978 5.879 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.386 7.453 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.401 6.116 -5.933 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.904 11.525 -2.261 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.308 12.827 -2.536 1.00 0.00 C ATOM 1711 C ALA A 106 -1.812 12.818 -2.241 1.00 0.00 C ATOM 1712 O ALA A 106 -1.021 13.409 -2.977 1.00 0.00 O ATOM 1713 CB ALA A 106 -4.002 13.908 -1.721 1.00 0.00 C ATOM 0 H ALA A 106 -4.672 11.546 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.442 13.044 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.547 14.875 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.060 13.939 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.898 13.686 -0.659 1.00 0.00 H new ATOM 1719 N SER A 107 -1.430 12.144 -1.161 1.00 0.00 N ATOM 1720 CA SER A 107 -0.028 12.063 -0.767 1.00 0.00 C ATOM 1721 C SER A 107 0.792 11.330 -1.824 1.00 0.00 C ATOM 1722 O SER A 107 1.938 11.688 -2.095 1.00 0.00 O ATOM 1723 CB SER A 107 0.104 11.351 0.581 1.00 0.00 C ATOM 1724 OG SER A 107 0.036 9.944 0.423 1.00 0.00 O ATOM 0 H SER A 107 -2.071 11.646 -0.543 1.00 0.00 H new ATOM 0 HA SER A 107 0.357 13.078 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.051 11.622 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.689 11.684 1.251 1.00 0.00 H new ATOM 0 HG SER A 107 -0.897 9.674 0.294 1.00 0.00 H new ATOM 1730 N PHE A 108 0.195 10.302 -2.419 1.00 0.00 N ATOM 1731 CA PHE A 108 0.870 9.517 -3.446 1.00 0.00 C ATOM 1732 C PHE A 108 1.298 10.402 -4.613 1.00 0.00 C ATOM 1733 O PHE A 108 2.383 10.232 -5.171 1.00 0.00 O ATOM 1734 CB PHE A 108 -0.048 8.400 -3.949 1.00 0.00 C ATOM 1735 CG PHE A 108 0.087 7.120 -3.174 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.207 6.318 -3.326 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.905 6.719 -2.294 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.333 5.139 -2.616 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.784 5.542 -1.581 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.337 4.751 -1.741 1.00 0.00 C ATOM 0 H PHE A 108 -0.754 9.994 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 108 1.762 9.074 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.082 8.740 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.171 8.205 -4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 108 1.990 6.618 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.783 7.334 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.210 4.521 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.565 5.241 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.435 3.831 -1.183 1.00 0.00 H new ATOM 1750 N LEU A 109 0.438 11.347 -4.978 1.00 0.00 N ATOM 1751 CA LEU A 109 0.726 12.260 -6.079 1.00 0.00 C ATOM 1752 C LEU A 109 2.053 12.978 -5.858 1.00 0.00 C ATOM 1753 O LEU A 109 2.883 13.061 -6.763 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.402 13.282 -6.228 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.582 12.856 -7.103 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.652 12.176 -6.262 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.162 14.056 -7.837 1.00 0.00 C ATOM 0 H LEU A 109 -0.464 11.501 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 109 0.800 11.674 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.780 13.523 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.018 14.199 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.221 12.142 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.484 11.880 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.231 11.293 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.009 12.868 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.000 13.734 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.507 14.794 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.395 14.501 -8.470 1.00 0.00 H new ATOM 1769 N ARG A 110 2.246 13.495 -4.649 1.00 0.00 N ATOM 1770 CA ARG A 110 3.473 14.205 -4.309 1.00 0.00 C ATOM 1771 C ARG A 110 4.699 13.423 -4.769 1.00 0.00 C ATOM 1772 O ARG A 110 5.601 13.977 -5.397 1.00 0.00 O ATOM 1773 CB ARG A 110 3.545 14.448 -2.800 1.00 0.00 C ATOM 1774 CG ARG A 110 2.786 15.683 -2.344 1.00 0.00 C ATOM 1775 CD ARG A 110 3.661 16.925 -2.396 1.00 0.00 C ATOM 1776 NE ARG A 110 2.881 18.151 -2.245 1.00 0.00 N ATOM 1777 CZ ARG A 110 2.251 18.749 -3.250 1.00 0.00 C ATOM 1778 NH1 ARG A 110 2.309 18.237 -4.472 1.00 0.00 N ATOM 1779 NH2 ARG A 110 1.561 19.862 -3.034 1.00 0.00 N ATOM 0 H ARG A 110 1.569 13.435 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 110 3.462 15.165 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.148 13.576 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.590 14.545 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.910 15.827 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.424 15.534 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.411 16.873 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.197 16.951 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 110 2.817 18.571 -1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.838 17.382 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.824 18.698 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.514 20.259 -2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.078 20.320 -3.806 1.00 0.00 H new ATOM 1793 N ALA A 111 4.726 12.133 -4.451 1.00 0.00 N ATOM 1794 CA ALA A 111 5.840 11.275 -4.833 1.00 0.00 C ATOM 1795 C ALA A 111 5.947 11.155 -6.349 1.00 0.00 C ATOM 1796 O ALA A 111 7.041 11.027 -6.897 1.00 0.00 O ATOM 1797 CB ALA A 111 5.687 9.899 -4.202 1.00 0.00 C ATOM 0 H ALA A 111 3.988 11.659 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 111 6.759 11.731 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.526 9.269 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.669 9.996 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.756 9.445 -4.541 1.00 0.00 H new ATOM 1803 N GLY A 112 4.801 11.197 -7.024 1.00 0.00 N ATOM 1804 CA GLY A 112 4.788 11.091 -8.471 1.00 0.00 C ATOM 1805 C GLY A 112 3.958 9.920 -8.959 1.00 0.00 C ATOM 1806 O GLY A 112 4.334 9.237 -9.912 1.00 0.00 O ATOM 0 H GLY A 112 3.882 11.303 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.394 12.014 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.810 10.984 -8.834 1.00 0.00 H new ATOM 1810 N VAL A 113 2.826 9.686 -8.304 1.00 0.00 N ATOM 1811 CA VAL A 113 1.940 8.589 -8.676 1.00 0.00 C ATOM 1812 C VAL A 113 0.603 9.112 -9.188 1.00 0.00 C ATOM 1813 O VAL A 113 0.122 10.154 -8.745 1.00 0.00 O ATOM 1814 CB VAL A 113 1.688 7.643 -7.487 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.705 6.549 -7.874 1.00 0.00 C ATOM 1816 CG2 VAL A 113 2.997 7.046 -6.994 1.00 0.00 C ATOM 0 H VAL A 113 2.500 10.241 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 113 2.439 8.035 -9.471 1.00 0.00 H new ATOM 0 HB VAL A 113 1.250 8.220 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.539 5.890 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.241 6.999 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.111 5.972 -8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.800 6.380 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.467 6.483 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.664 7.846 -6.674 1.00 0.00 H new