USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 THR OG1 : rot 170:sc= -0.21 USER MOD Set 1.2: A 109 CYS SG : rot 97:sc= 0.478 USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 SER OG : rot -64:sc= -0.634 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -152:sc= -0.0167 (180deg=-0.27) USER MOD Set 4.1: A 51 GLN : amide:sc= -2.35 K(o=-2.3,f=-3.1!) USER MOD Set 4.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 ASN : amide:sc= 0.342 K(o=0.34,f=-0.75) USER MOD Single : A 19 THR OG1 : rot 169:sc= 0.266 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -30:sc= -0.651 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 47:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 2:sc= 0.8 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.3!) USER MOD Single : A 57 TYR OH : rot -50:sc= -0.797 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 0.00283 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -53:sc= 0.333 USER MOD Single : A 64 ASN : amide:sc= -3.1 K(o=-3.1,f=-2.4) USER MOD Single : A 66 ASN : amide:sc= -2.45 K(o=-2.5,f=-4.2!) USER MOD Single : A 72 ASN : amide:sc= -2.98! K(o=-3!,f=-0.6) USER MOD Single : A 73 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.2!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -143:sc= -0.161 (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.879 4.179 6.845 1.00 0.00 N ATOM 93 CA ASP A 10 12.514 5.241 5.914 1.00 0.00 C ATOM 94 C ASP A 10 12.336 4.689 4.504 1.00 0.00 C ATOM 95 O ASP A 10 11.767 5.351 3.635 1.00 0.00 O ATOM 96 CB ASP A 10 13.580 6.338 5.916 1.00 0.00 C ATOM 97 CG ASP A 10 13.584 7.139 7.203 1.00 0.00 C ATOM 98 OD1 ASP A 10 12.595 7.856 7.460 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.577 7.048 7.954 1.00 0.00 O ATOM 0 HA ASP A 10 11.565 5.667 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.561 5.887 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.408 7.009 5.074 1.00 0.00 H new ATOM 104 N ILE A 11 12.827 3.475 4.282 1.00 0.00 N ATOM 105 CA ILE A 11 12.722 2.835 2.976 1.00 0.00 C ATOM 106 C ILE A 11 11.280 2.446 2.670 1.00 0.00 C ATOM 107 O ILE A 11 10.905 2.283 1.508 1.00 0.00 O ATOM 108 CB ILE A 11 13.610 1.579 2.892 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.812 1.168 1.432 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.992 0.440 3.689 1.00 0.00 C ATOM 111 CD1 ILE A 11 15.016 0.279 1.216 1.00 0.00 C ATOM 0 H ILE A 11 13.302 2.914 4.990 1.00 0.00 H new ATOM 0 HA ILE A 11 13.064 3.562 2.239 1.00 0.00 H new ATOM 0 HB ILE A 11 14.584 1.810 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.920 0.649 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.919 2.065 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.631 -0.441 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.895 0.737 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.007 0.206 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.097 0.027 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.917 0.803 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.903 -0.635 1.799 1.00 0.00 H new ATOM 123 N ILE A 12 10.476 2.302 3.717 1.00 0.00 N ATOM 124 CA ILE A 12 9.074 1.935 3.559 1.00 0.00 C ATOM 125 C ILE A 12 8.366 2.875 2.590 1.00 0.00 C ATOM 126 O ILE A 12 7.446 2.473 1.878 1.00 0.00 O ATOM 127 CB ILE A 12 8.332 1.953 4.908 1.00 0.00 C ATOM 128 CG1 ILE A 12 9.077 1.098 5.936 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.904 1.457 4.734 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.397 1.048 7.287 1.00 0.00 C ATOM 0 H ILE A 12 10.771 2.434 4.684 1.00 0.00 H new ATOM 0 HA ILE A 12 9.056 0.922 3.157 1.00 0.00 H new ATOM 0 HB ILE A 12 8.297 2.979 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.175 0.083 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.086 1.491 6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.393 1.476 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.378 2.103 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.917 0.437 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.980 0.425 7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.323 2.056 7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.398 0.627 7.176 1.00 0.00 H new ATOM 142 N VAL A 13 8.803 4.132 2.567 1.00 0.00 N ATOM 143 CA VAL A 13 8.212 5.129 1.683 1.00 0.00 C ATOM 144 C VAL A 13 8.881 5.114 0.313 1.00 0.00 C ATOM 145 O VAL A 13 8.213 5.016 -0.714 1.00 0.00 O ATOM 146 CB VAL A 13 8.324 6.545 2.281 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.613 7.556 1.396 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.762 6.571 3.695 1.00 0.00 C ATOM 0 H VAL A 13 9.563 4.482 3.150 1.00 0.00 H new ATOM 0 HA VAL A 13 7.159 4.871 1.573 1.00 0.00 H new ATOM 0 HB VAL A 13 9.378 6.819 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.703 8.550 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.066 7.554 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.559 7.290 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.849 7.578 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.713 6.277 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.321 5.877 4.322 1.00 0.00 H new ATOM 158 N ASN A 14 10.208 5.213 0.307 1.00 0.00 N ATOM 159 CA ASN A 14 10.967 5.210 -0.937 1.00 0.00 C ATOM 160 C ASN A 14 10.548 4.046 -1.829 1.00 0.00 C ATOM 161 O ASN A 14 10.267 4.228 -3.013 1.00 0.00 O ATOM 162 CB ASN A 14 12.466 5.127 -0.643 1.00 0.00 C ATOM 163 CG ASN A 14 13.299 5.015 -1.906 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.545 3.916 -2.404 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.736 6.153 -2.429 1.00 0.00 N ATOM 0 H ASN A 14 10.778 5.296 1.149 1.00 0.00 H new ATOM 0 HA ASN A 14 10.757 6.141 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.773 6.012 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.661 4.265 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.301 6.140 -3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.507 7.041 -1.982 1.00 0.00 H new ATOM 172 N TRP A 15 10.508 2.850 -1.252 1.00 0.00 N ATOM 173 CA TRP A 15 10.122 1.655 -1.994 1.00 0.00 C ATOM 174 C TRP A 15 8.781 1.858 -2.691 1.00 0.00 C ATOM 175 O TRP A 15 8.662 1.662 -3.901 1.00 0.00 O ATOM 176 CB TRP A 15 10.048 0.450 -1.056 1.00 0.00 C ATOM 177 CG TRP A 15 9.790 -0.843 -1.770 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.640 -1.493 -2.620 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.603 -1.640 -1.699 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.052 -2.647 -3.080 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.803 -2.761 -2.530 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.392 -1.518 -1.013 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.836 -3.748 -2.691 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.434 -2.500 -1.175 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.659 -3.603 -2.007 1.00 0.00 C ATOM 0 H TRP A 15 10.738 2.682 -0.273 1.00 0.00 H new ATOM 0 HA TRP A 15 10.880 1.467 -2.754 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.984 0.371 -0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.258 0.616 -0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.628 -1.150 -2.890 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.477 -3.311 -3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.208 -0.672 -0.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.008 -4.599 -3.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.494 -2.415 -0.650 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.890 -4.354 -2.111 1.00 0.00 H new ATOM 196 N VAL A 16 7.771 2.249 -1.919 1.00 0.00 N ATOM 197 CA VAL A 16 6.438 2.478 -2.463 1.00 0.00 C ATOM 198 C VAL A 16 6.494 3.372 -3.697 1.00 0.00 C ATOM 199 O VAL A 16 5.851 3.093 -4.707 1.00 0.00 O ATOM 200 CB VAL A 16 5.509 3.123 -1.418 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.116 3.327 -1.994 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.454 2.273 -0.157 1.00 0.00 C ATOM 0 H VAL A 16 7.851 2.414 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 16 6.038 1.503 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 16 5.913 4.100 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.474 3.784 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.174 3.980 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.700 2.364 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.793 2.744 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.075 1.281 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.455 2.184 0.266 1.00 0.00 H new ATOM 212 N ASN A 17 7.268 4.449 -3.606 1.00 0.00 N ATOM 213 CA ASN A 17 7.409 5.384 -4.716 1.00 0.00 C ATOM 214 C ASN A 17 8.078 4.714 -5.913 1.00 0.00 C ATOM 215 O ASN A 17 7.520 4.679 -7.008 1.00 0.00 O ATOM 216 CB ASN A 17 8.222 6.606 -4.281 1.00 0.00 C ATOM 217 CG ASN A 17 7.359 7.679 -3.647 1.00 0.00 C ATOM 218 OD1 ASN A 17 6.851 8.568 -4.332 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.188 7.603 -2.332 1.00 0.00 N ATOM 0 H ASN A 17 7.807 4.695 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 17 6.411 5.706 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.989 6.295 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.738 7.023 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.617 8.298 -1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.627 6.849 -1.803 1.00 0.00 H new ATOM 226 N GLU A 18 9.277 4.182 -5.692 1.00 0.00 N ATOM 227 CA GLU A 18 10.021 3.513 -6.752 1.00 0.00 C ATOM 228 C GLU A 18 9.175 2.426 -7.408 1.00 0.00 C ATOM 229 O GLU A 18 8.913 2.467 -8.611 1.00 0.00 O ATOM 230 CB GLU A 18 11.310 2.905 -6.195 1.00 0.00 C ATOM 231 CG GLU A 18 12.498 3.852 -6.238 1.00 0.00 C ATOM 232 CD GLU A 18 13.074 4.001 -7.633 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.099 2.998 -8.376 1.00 0.00 O ATOM 234 OE2 GLU A 18 13.499 5.123 -7.981 1.00 0.00 O ATOM 0 H GLU A 18 9.752 4.202 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 18 10.275 4.257 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.140 2.596 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.552 2.006 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.191 4.831 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.274 3.486 -5.565 1.00 0.00 H new ATOM 241 N THR A 19 8.750 1.453 -6.609 1.00 0.00 N ATOM 242 CA THR A 19 7.936 0.353 -7.111 1.00 0.00 C ATOM 243 C THR A 19 6.882 0.852 -8.093 1.00 0.00 C ATOM 244 O THR A 19 6.654 0.241 -9.138 1.00 0.00 O ATOM 245 CB THR A 19 7.234 -0.397 -5.962 1.00 0.00 C ATOM 246 OG1 THR A 19 8.196 -1.134 -5.199 1.00 0.00 O ATOM 247 CG2 THR A 19 6.174 -1.345 -6.502 1.00 0.00 C ATOM 0 H THR A 19 8.956 1.404 -5.611 1.00 0.00 H new ATOM 0 HA THR A 19 8.612 -0.331 -7.623 1.00 0.00 H new ATOM 0 HB THR A 19 6.748 0.338 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.778 -1.463 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.692 -1.863 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.428 -0.778 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.641 -2.075 -7.163 1.00 0.00 H new ATOM 255 N LEU A 20 6.244 1.967 -7.754 1.00 0.00 N ATOM 256 CA LEU A 20 5.215 2.549 -8.608 1.00 0.00 C ATOM 257 C LEU A 20 5.835 3.209 -9.835 1.00 0.00 C ATOM 258 O LEU A 20 5.305 3.105 -10.942 1.00 0.00 O ATOM 259 CB LEU A 20 4.396 3.576 -7.823 1.00 0.00 C ATOM 260 CG LEU A 20 3.548 3.023 -6.676 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.259 4.111 -5.653 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.251 2.432 -7.209 1.00 0.00 C ATOM 0 H LEU A 20 6.421 2.486 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 20 4.558 1.746 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.079 4.322 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.736 4.094 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 20 4.110 2.230 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.655 3.699 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.198 4.488 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.717 4.926 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.660 2.043 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.684 3.206 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.478 1.623 -7.903 1.00 0.00 H new ATOM 274 N ARG A 21 6.961 3.884 -9.633 1.00 0.00 N ATOM 275 CA ARG A 21 7.654 4.559 -10.724 1.00 0.00 C ATOM 276 C ARG A 21 8.068 3.563 -11.803 1.00 0.00 C ATOM 277 O ARG A 21 7.801 3.769 -12.986 1.00 0.00 O ATOM 278 CB ARG A 21 8.885 5.296 -10.195 1.00 0.00 C ATOM 279 CG ARG A 21 9.387 6.390 -11.125 1.00 0.00 C ATOM 280 CD ARG A 21 8.287 7.387 -11.456 1.00 0.00 C ATOM 281 NE ARG A 21 8.826 8.655 -11.940 1.00 0.00 N ATOM 282 CZ ARG A 21 8.092 9.749 -12.108 1.00 0.00 C ATOM 283 NH1 ARG A 21 6.795 9.730 -11.831 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.653 10.866 -12.553 1.00 0.00 N ATOM 0 H ARG A 21 7.413 3.978 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 21 6.968 5.282 -11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.646 5.735 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.686 4.576 -10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.223 6.911 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.763 5.943 -12.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.627 6.961 -12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.681 7.566 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 21 9.821 8.703 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.359 8.874 -11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.233 10.572 -11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.650 10.886 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.087 11.705 -12.681 1.00 0.00 H new ATOM 298 N GLU A 22 8.724 2.485 -11.385 1.00 0.00 N ATOM 299 CA GLU A 22 9.176 1.458 -12.318 1.00 0.00 C ATOM 300 C GLU A 22 7.991 0.796 -13.015 1.00 0.00 C ATOM 301 O GLU A 22 8.125 0.261 -14.115 1.00 0.00 O ATOM 302 CB GLU A 22 10.006 0.402 -11.585 1.00 0.00 C ATOM 303 CG GLU A 22 9.180 -0.501 -10.682 1.00 0.00 C ATOM 304 CD GLU A 22 9.875 -1.814 -10.380 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.936 -1.787 -9.722 1.00 0.00 O ATOM 306 OE2 GLU A 22 9.357 -2.870 -10.800 1.00 0.00 O ATOM 0 H GLU A 22 8.954 2.300 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 22 9.797 1.938 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.528 -0.212 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.768 0.901 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.971 0.019 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.220 -0.703 -11.156 1.00 0.00 H new ATOM 313 N ALA A 23 6.832 0.837 -12.366 1.00 0.00 N ATOM 314 CA ALA A 23 5.623 0.243 -12.924 1.00 0.00 C ATOM 315 C ALA A 23 4.852 1.256 -13.765 1.00 0.00 C ATOM 316 O ALA A 23 3.901 0.901 -14.459 1.00 0.00 O ATOM 317 CB ALA A 23 4.741 -0.301 -11.810 1.00 0.00 C ATOM 0 H ALA A 23 6.705 1.275 -11.454 1.00 0.00 H new ATOM 0 HA ALA A 23 5.918 -0.580 -13.574 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.842 -0.742 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.287 -1.062 -11.252 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.462 0.510 -11.138 1.00 0.00 H new ATOM 323 N GLU A 24 5.270 2.515 -13.697 1.00 0.00 N ATOM 324 CA GLU A 24 4.617 3.578 -14.453 1.00 0.00 C ATOM 325 C GLU A 24 3.228 3.869 -13.891 1.00 0.00 C ATOM 326 O GLU A 24 2.263 4.024 -14.640 1.00 0.00 O ATOM 327 CB GLU A 24 4.512 3.193 -15.930 1.00 0.00 C ATOM 328 CG GLU A 24 5.751 2.499 -16.468 1.00 0.00 C ATOM 329 CD GLU A 24 6.769 3.474 -17.028 1.00 0.00 C ATOM 330 OE1 GLU A 24 7.616 3.961 -16.250 1.00 0.00 O ATOM 331 OE2 GLU A 24 6.719 3.749 -18.245 1.00 0.00 O ATOM 0 H GLU A 24 6.057 2.825 -13.127 1.00 0.00 H new ATOM 0 HA GLU A 24 5.223 4.479 -14.363 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.651 2.538 -16.066 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.325 4.091 -16.518 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.212 1.917 -15.670 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.459 1.796 -17.248 1.00 0.00 H new ATOM 338 N LYS A 25 3.135 3.943 -12.568 1.00 0.00 N ATOM 339 CA LYS A 25 1.865 4.216 -11.904 1.00 0.00 C ATOM 340 C LYS A 25 1.714 5.706 -11.613 1.00 0.00 C ATOM 341 O LYS A 25 2.691 6.455 -11.632 1.00 0.00 O ATOM 342 CB LYS A 25 1.766 3.418 -10.602 1.00 0.00 C ATOM 343 CG LYS A 25 1.115 2.057 -10.771 1.00 0.00 C ATOM 344 CD LYS A 25 1.708 1.297 -11.946 1.00 0.00 C ATOM 345 CE LYS A 25 0.801 0.159 -12.387 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.222 0.614 -13.370 1.00 0.00 N ATOM 0 H LYS A 25 3.924 3.818 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 25 1.060 3.911 -12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.767 3.284 -10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.197 3.996 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.244 1.475 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.043 2.182 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.868 1.981 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.684 0.899 -11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.403 -0.634 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.303 -0.267 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.820 -0.191 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.813 1.353 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.252 0.997 -14.212 1.00 0.00 H new ATOM 360 N SER A 26 0.483 6.128 -11.342 1.00 0.00 N ATOM 361 CA SER A 26 0.203 7.530 -11.050 1.00 0.00 C ATOM 362 C SER A 26 -0.074 7.729 -9.563 1.00 0.00 C ATOM 363 O SER A 26 -0.591 8.767 -9.150 1.00 0.00 O ATOM 364 CB SER A 26 -0.992 8.016 -11.872 1.00 0.00 C ATOM 365 OG SER A 26 -0.633 8.203 -13.231 1.00 0.00 O ATOM 0 H SER A 26 -0.336 5.520 -11.318 1.00 0.00 H new ATOM 0 HA SER A 26 1.082 8.115 -11.321 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.804 7.292 -11.803 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.365 8.953 -11.459 1.00 0.00 H new ATOM 0 HG SER A 26 -1.414 8.512 -13.736 1.00 0.00 H new ATOM 371 N SER A 27 0.272 6.725 -8.763 1.00 0.00 N ATOM 372 CA SER A 27 0.058 6.788 -7.322 1.00 0.00 C ATOM 373 C SER A 27 1.386 6.908 -6.579 1.00 0.00 C ATOM 374 O SER A 27 2.420 6.439 -7.054 1.00 0.00 O ATOM 375 CB SER A 27 -0.695 5.545 -6.844 1.00 0.00 C ATOM 376 OG SER A 27 -1.997 5.491 -7.401 1.00 0.00 O ATOM 0 H SER A 27 0.701 5.859 -9.088 1.00 0.00 H new ATOM 0 HA SER A 27 -0.540 7.674 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.139 4.650 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.762 5.552 -5.756 1.00 0.00 H new ATOM 0 HG SER A 27 -2.324 6.402 -7.557 1.00 0.00 H new ATOM 382 N SER A 28 1.347 7.542 -5.411 1.00 0.00 N ATOM 383 CA SER A 28 2.548 7.730 -4.605 1.00 0.00 C ATOM 384 C SER A 28 2.195 8.292 -3.231 1.00 0.00 C ATOM 385 O SER A 28 1.046 8.647 -2.970 1.00 0.00 O ATOM 386 CB SER A 28 3.526 8.666 -5.316 1.00 0.00 C ATOM 387 OG SER A 28 2.973 9.963 -5.465 1.00 0.00 O ATOM 0 H SER A 28 0.498 7.933 -5.002 1.00 0.00 H new ATOM 0 HA SER A 28 3.022 6.758 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.455 8.726 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.777 8.259 -6.296 1.00 0.00 H new ATOM 0 HG SER A 28 3.618 10.543 -5.921 1.00 0.00 H new ATOM 393 N ILE A 29 3.193 8.368 -2.357 1.00 0.00 N ATOM 394 CA ILE A 29 2.990 8.887 -1.010 1.00 0.00 C ATOM 395 C ILE A 29 4.157 9.769 -0.578 1.00 0.00 C ATOM 396 O ILE A 29 5.258 9.667 -1.120 1.00 0.00 O ATOM 397 CB ILE A 29 2.817 7.748 0.013 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.849 6.647 -0.238 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.405 7.185 -0.056 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.180 5.836 0.995 1.00 0.00 C ATOM 0 H ILE A 29 4.150 8.077 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 29 2.078 9.483 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 29 2.979 8.149 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.474 5.978 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.764 7.098 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.298 6.381 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.687 7.975 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.217 6.795 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.918 5.074 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.586 6.493 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.276 5.355 1.368 1.00 0.00 H new ATOM 412 N SER A 30 3.908 10.633 0.399 1.00 0.00 N ATOM 413 CA SER A 30 4.938 11.536 0.902 1.00 0.00 C ATOM 414 C SER A 30 5.451 11.070 2.262 1.00 0.00 C ATOM 415 O SER A 30 6.623 11.252 2.592 1.00 0.00 O ATOM 416 CB SER A 30 4.390 12.960 1.012 1.00 0.00 C ATOM 417 OG SER A 30 4.201 13.532 -0.270 1.00 0.00 O ATOM 0 H SER A 30 3.003 10.728 0.859 1.00 0.00 H new ATOM 0 HA SER A 30 5.769 11.528 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.443 12.948 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.079 13.575 1.590 1.00 0.00 H new ATOM 0 HG SER A 30 3.849 14.441 -0.174 1.00 0.00 H new ATOM 423 N SER A 31 4.562 10.469 3.049 1.00 0.00 N ATOM 424 CA SER A 31 4.922 9.981 4.374 1.00 0.00 C ATOM 425 C SER A 31 3.839 9.059 4.927 1.00 0.00 C ATOM 426 O SER A 31 2.773 8.908 4.330 1.00 0.00 O ATOM 427 CB SER A 31 5.145 11.154 5.330 1.00 0.00 C ATOM 428 OG SER A 31 6.479 11.628 5.254 1.00 0.00 O ATOM 0 H SER A 31 3.588 10.309 2.791 1.00 0.00 H new ATOM 0 HA SER A 31 5.848 9.413 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.454 11.962 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.924 10.842 6.351 1.00 0.00 H new ATOM 0 HG SER A 31 6.739 11.725 4.314 1.00 0.00 H new ATOM 434 N PHE A 32 4.121 8.445 6.070 1.00 0.00 N ATOM 435 CA PHE A 32 3.171 7.537 6.704 1.00 0.00 C ATOM 436 C PHE A 32 1.825 8.221 6.920 1.00 0.00 C ATOM 437 O PHE A 32 0.805 7.562 7.122 1.00 0.00 O ATOM 438 CB PHE A 32 3.724 7.040 8.041 1.00 0.00 C ATOM 439 CG PHE A 32 4.779 5.980 7.898 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.433 4.679 7.568 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.117 6.285 8.090 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.402 3.702 7.436 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.090 5.312 7.960 1.00 0.00 C ATOM 444 CZ PHE A 32 6.732 4.020 7.631 1.00 0.00 C ATOM 0 H PHE A 32 4.999 8.559 6.577 1.00 0.00 H new ATOM 0 HA PHE A 32 3.022 6.685 6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.141 7.885 8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.903 6.646 8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.395 4.426 7.412 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.403 7.295 8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.120 2.691 7.181 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.129 5.562 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.491 3.259 7.526 1.00 0.00 H new ATOM 454 N LYS A 33 1.829 9.549 6.876 1.00 0.00 N ATOM 455 CA LYS A 33 0.610 10.325 7.065 1.00 0.00 C ATOM 456 C LYS A 33 0.238 11.074 5.789 1.00 0.00 C ATOM 457 O LYS A 33 -0.060 12.268 5.824 1.00 0.00 O ATOM 458 CB LYS A 33 0.786 11.316 8.218 1.00 0.00 C ATOM 459 CG LYS A 33 0.913 10.651 9.577 1.00 0.00 C ATOM 460 CD LYS A 33 1.492 11.602 10.612 1.00 0.00 C ATOM 461 CE LYS A 33 1.081 11.209 12.023 1.00 0.00 C ATOM 462 NZ LYS A 33 1.060 12.382 12.940 1.00 0.00 N ATOM 0 H LYS A 33 2.664 10.111 6.711 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.197 9.634 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.674 11.920 8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.065 11.997 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.067 10.306 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.550 9.770 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.579 11.605 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.155 12.617 10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.093 10.749 11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.773 10.459 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.775 12.074 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.009 12.806 12.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.381 13.087 12.587 1.00 0.00 H new ATOM 476 N ASP A 34 0.255 10.366 4.666 1.00 0.00 N ATOM 477 CA ASP A 34 -0.084 10.962 3.380 1.00 0.00 C ATOM 478 C ASP A 34 -1.596 10.991 3.174 1.00 0.00 C ATOM 479 O ASP A 34 -2.311 10.055 3.529 1.00 0.00 O ATOM 480 CB ASP A 34 0.583 10.188 2.243 1.00 0.00 C ATOM 481 CG ASP A 34 -0.047 10.481 0.895 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.168 9.992 0.646 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.583 11.199 0.089 1.00 0.00 O ATOM 0 H ASP A 34 0.500 9.377 4.620 1.00 0.00 H new ATOM 0 HA ASP A 34 0.284 11.988 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.643 10.441 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.517 9.119 2.447 1.00 0.00 H new ATOM 488 N PRO A 35 -2.093 12.091 2.591 1.00 0.00 N ATOM 489 CA PRO A 35 -3.523 12.269 2.326 1.00 0.00 C ATOM 490 C PRO A 35 -4.030 11.338 1.229 1.00 0.00 C ATOM 491 O PRO A 35 -5.103 10.747 1.348 1.00 0.00 O ATOM 492 CB PRO A 35 -3.623 13.729 1.877 1.00 0.00 C ATOM 493 CG PRO A 35 -2.275 14.050 1.330 1.00 0.00 C ATOM 494 CD PRO A 35 -1.297 13.247 2.143 1.00 0.00 C ATOM 0 HA PRO A 35 -4.131 12.036 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.398 13.859 1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.878 14.383 2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.210 13.790 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.065 15.117 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.438 12.937 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.910 13.819 2.986 1.00 0.00 H new ATOM 502 N LYS A 36 -3.251 11.213 0.160 1.00 0.00 N ATOM 503 CA LYS A 36 -3.618 10.353 -0.959 1.00 0.00 C ATOM 504 C LYS A 36 -3.979 8.952 -0.473 1.00 0.00 C ATOM 505 O LYS A 36 -4.761 8.246 -1.111 1.00 0.00 O ATOM 506 CB LYS A 36 -2.470 10.274 -1.967 1.00 0.00 C ATOM 507 CG LYS A 36 -2.020 11.630 -2.483 1.00 0.00 C ATOM 508 CD LYS A 36 -3.079 12.272 -3.363 1.00 0.00 C ATOM 509 CE LYS A 36 -2.534 13.489 -4.094 1.00 0.00 C ATOM 510 NZ LYS A 36 -3.543 14.079 -5.018 1.00 0.00 N ATOM 0 H LYS A 36 -2.361 11.697 0.045 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.492 10.786 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.622 9.772 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.780 9.658 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.799 12.286 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.096 11.516 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.442 11.543 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.932 12.566 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.224 14.240 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.646 13.206 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.133 14.906 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.821 13.371 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.380 14.373 -4.476 1.00 0.00 H new ATOM 524 N ILE A 37 -3.405 8.558 0.659 1.00 0.00 N ATOM 525 CA ILE A 37 -3.669 7.243 1.230 1.00 0.00 C ATOM 526 C ILE A 37 -5.154 7.059 1.523 1.00 0.00 C ATOM 527 O ILE A 37 -5.673 5.944 1.470 1.00 0.00 O ATOM 528 CB ILE A 37 -2.869 7.023 2.528 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.390 6.800 2.210 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.434 5.842 3.304 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.527 6.620 3.440 1.00 0.00 C ATOM 0 H ILE A 37 -2.755 9.130 1.198 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.354 6.508 0.490 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.957 7.916 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.292 5.919 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.018 7.649 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.859 5.699 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.476 6.038 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.373 4.942 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.509 6.467 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.595 7.510 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.873 5.753 4.004 1.00 0.00 H new ATOM 543 N SER A 38 -5.831 8.160 1.830 1.00 0.00 N ATOM 544 CA SER A 38 -7.257 8.120 2.133 1.00 0.00 C ATOM 545 C SER A 38 -8.029 7.407 1.028 1.00 0.00 C ATOM 546 O SER A 38 -9.033 6.743 1.283 1.00 0.00 O ATOM 547 CB SER A 38 -7.802 9.539 2.316 1.00 0.00 C ATOM 548 OG SER A 38 -7.707 9.951 3.669 1.00 0.00 O ATOM 0 H SER A 38 -5.416 9.091 1.876 1.00 0.00 H new ATOM 0 HA SER A 38 -7.389 7.564 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.246 10.230 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.842 9.577 1.993 1.00 0.00 H new ATOM 0 HG SER A 38 -8.276 9.379 4.226 1.00 0.00 H new ATOM 554 N THR A 39 -7.550 7.548 -0.205 1.00 0.00 N ATOM 555 CA THR A 39 -8.194 6.918 -1.352 1.00 0.00 C ATOM 556 C THR A 39 -7.607 5.538 -1.621 1.00 0.00 C ATOM 557 O THR A 39 -8.125 4.782 -2.443 1.00 0.00 O ATOM 558 CB THR A 39 -8.051 7.781 -2.620 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.681 8.155 -2.806 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.914 9.030 -2.523 1.00 0.00 C ATOM 0 H THR A 39 -6.719 8.093 -0.435 1.00 0.00 H new ATOM 0 HA THR A 39 -9.251 6.819 -1.107 1.00 0.00 H new ATOM 0 HB THR A 39 -8.385 7.192 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.133 7.753 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.797 9.624 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.959 8.742 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.605 9.620 -1.660 1.00 0.00 H new ATOM 568 N SER A 40 -6.524 5.213 -0.924 1.00 0.00 N ATOM 569 CA SER A 40 -5.864 3.923 -1.091 1.00 0.00 C ATOM 570 C SER A 40 -5.231 3.812 -2.474 1.00 0.00 C ATOM 571 O SER A 40 -5.068 2.714 -3.010 1.00 0.00 O ATOM 572 CB SER A 40 -6.865 2.785 -0.883 1.00 0.00 C ATOM 573 OG SER A 40 -7.709 3.044 0.224 1.00 0.00 O ATOM 0 H SER A 40 -6.084 5.826 -0.237 1.00 0.00 H new ATOM 0 HA SER A 40 -5.075 3.846 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.468 2.658 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.329 1.849 -0.724 1.00 0.00 H new ATOM 0 HG SER A 40 -8.340 2.303 0.334 1.00 0.00 H new ATOM 579 N LEU A 41 -4.875 4.956 -3.048 1.00 0.00 N ATOM 580 CA LEU A 41 -4.259 4.989 -4.370 1.00 0.00 C ATOM 581 C LEU A 41 -2.860 4.382 -4.334 1.00 0.00 C ATOM 582 O LEU A 41 -2.527 3.481 -5.105 1.00 0.00 O ATOM 583 CB LEU A 41 -4.189 6.428 -4.886 1.00 0.00 C ATOM 584 CG LEU A 41 -5.452 6.958 -5.568 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.302 8.437 -5.892 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.752 6.160 -6.828 1.00 0.00 C ATOM 0 H LEU A 41 -5.002 5.873 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.875 4.396 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.951 7.082 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.361 6.500 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.290 6.841 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.209 8.797 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.136 8.996 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.453 8.579 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.653 6.551 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.914 6.244 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.904 5.112 -6.568 1.00 0.00 H new ATOM 598 N PRO A 42 -2.020 4.884 -3.417 1.00 0.00 N ATOM 599 CA PRO A 42 -0.645 4.404 -3.256 1.00 0.00 C ATOM 600 C PRO A 42 -0.587 2.993 -2.680 1.00 0.00 C ATOM 601 O PRO A 42 0.384 2.265 -2.893 1.00 0.00 O ATOM 602 CB PRO A 42 -0.031 5.407 -2.276 1.00 0.00 C ATOM 603 CG PRO A 42 -1.189 5.943 -1.507 1.00 0.00 C ATOM 604 CD PRO A 42 -2.349 5.958 -2.465 1.00 0.00 C ATOM 0 HA PRO A 42 -0.121 4.343 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.692 4.925 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.497 6.202 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.406 5.318 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.979 6.945 -1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.293 5.768 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.445 6.922 -2.964 1.00 0.00 H new ATOM 612 N VAL A 43 -1.631 2.613 -1.952 1.00 0.00 N ATOM 613 CA VAL A 43 -1.699 1.288 -1.347 1.00 0.00 C ATOM 614 C VAL A 43 -2.247 0.261 -2.331 1.00 0.00 C ATOM 615 O VAL A 43 -1.905 -0.920 -2.270 1.00 0.00 O ATOM 616 CB VAL A 43 -2.580 1.293 -0.084 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.289 0.070 0.775 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.366 2.574 0.710 1.00 0.00 C ATOM 0 H VAL A 43 -2.442 3.204 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.681 1.014 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.625 1.252 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.921 0.090 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.497 -0.834 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.241 0.077 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.996 2.561 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.320 2.647 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.628 3.433 0.092 1.00 0.00 H new ATOM 628 N LEU A 44 -3.102 0.720 -3.240 1.00 0.00 N ATOM 629 CA LEU A 44 -3.698 -0.158 -4.241 1.00 0.00 C ATOM 630 C LEU A 44 -2.749 -0.369 -5.416 1.00 0.00 C ATOM 631 O LEU A 44 -2.490 -1.503 -5.821 1.00 0.00 O ATOM 632 CB LEU A 44 -5.021 0.428 -4.738 1.00 0.00 C ATOM 633 CG LEU A 44 -6.218 0.273 -3.799 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.342 1.213 -4.209 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.704 -1.169 -3.788 1.00 0.00 C ATOM 0 H LEU A 44 -3.397 1.694 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.888 -1.124 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.874 1.490 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.268 -0.041 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.901 0.536 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.186 1.089 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.989 2.243 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.658 0.981 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.556 -1.261 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.004 -1.459 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.900 -1.821 -3.447 1.00 0.00 H new ATOM 647 N ASP A 45 -2.233 0.728 -5.957 1.00 0.00 N ATOM 648 CA ASP A 45 -1.310 0.664 -7.084 1.00 0.00 C ATOM 649 C ASP A 45 -0.030 -0.073 -6.697 1.00 0.00 C ATOM 650 O ASP A 45 0.562 -0.781 -7.511 1.00 0.00 O ATOM 651 CB ASP A 45 -0.973 2.072 -7.577 1.00 0.00 C ATOM 652 CG ASP A 45 -2.150 2.744 -8.256 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.295 2.535 -7.802 1.00 0.00 O ATOM 654 OD2 ASP A 45 -1.927 3.479 -9.241 1.00 0.00 O ATOM 0 H ASP A 45 -2.438 1.673 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.797 0.113 -7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.647 2.681 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.137 2.019 -8.274 1.00 0.00 H new ATOM 659 N LEU A 46 0.391 0.101 -5.450 1.00 0.00 N ATOM 660 CA LEU A 46 1.601 -0.546 -4.953 1.00 0.00 C ATOM 661 C LEU A 46 1.528 -2.057 -5.146 1.00 0.00 C ATOM 662 O LEU A 46 2.500 -2.686 -5.566 1.00 0.00 O ATOM 663 CB LEU A 46 1.808 -0.218 -3.473 1.00 0.00 C ATOM 664 CG LEU A 46 2.814 -1.095 -2.726 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.150 -1.110 -3.453 1.00 0.00 C ATOM 666 CD2 LEU A 46 2.989 -0.605 -1.296 1.00 0.00 C ATOM 0 H LEU A 46 -0.087 0.685 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 46 2.448 -0.166 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.131 0.820 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.845 -0.292 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 46 2.428 -2.114 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.854 -1.739 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.012 -1.507 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.542 -0.095 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.708 -1.240 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.353 0.422 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.031 -0.645 -0.778 1.00 0.00 H new ATOM 678 N ILE A 47 0.372 -2.633 -4.838 1.00 0.00 N ATOM 679 CA ILE A 47 0.172 -4.070 -4.980 1.00 0.00 C ATOM 680 C ILE A 47 0.218 -4.488 -6.446 1.00 0.00 C ATOM 681 O ILE A 47 0.988 -5.370 -6.826 1.00 0.00 O ATOM 682 CB ILE A 47 -1.173 -4.514 -4.374 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.232 -4.150 -2.889 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.372 -6.010 -4.566 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.640 -4.078 -2.340 1.00 0.00 C ATOM 0 H ILE A 47 -0.441 -2.127 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 47 0.983 -4.557 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.978 -3.991 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.666 -4.887 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.743 -3.188 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.327 -6.309 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.368 -6.244 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.564 -6.551 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.605 -3.815 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.204 -3.320 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.126 -5.046 -2.458 1.00 0.00 H new ATOM 697 N ASP A 48 -0.609 -3.849 -7.265 1.00 0.00 N ATOM 698 CA ASP A 48 -0.661 -4.153 -8.690 1.00 0.00 C ATOM 699 C ASP A 48 0.723 -4.037 -9.321 1.00 0.00 C ATOM 700 O ASP A 48 1.116 -4.871 -10.136 1.00 0.00 O ATOM 701 CB ASP A 48 -1.638 -3.213 -9.398 1.00 0.00 C ATOM 702 CG ASP A 48 -1.814 -3.558 -10.865 1.00 0.00 C ATOM 703 OD1 ASP A 48 -0.813 -3.506 -11.609 1.00 0.00 O ATOM 704 OD2 ASP A 48 -2.952 -3.880 -11.266 1.00 0.00 O ATOM 0 H ASP A 48 -1.253 -3.117 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.008 -5.180 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.606 -3.257 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.280 -2.187 -9.309 1.00 0.00 H new ATOM 709 N ALA A 49 1.457 -2.997 -8.938 1.00 0.00 N ATOM 710 CA ALA A 49 2.797 -2.772 -9.465 1.00 0.00 C ATOM 711 C ALA A 49 3.647 -4.034 -9.359 1.00 0.00 C ATOM 712 O ALA A 49 4.534 -4.266 -10.180 1.00 0.00 O ATOM 713 CB ALA A 49 3.466 -1.619 -8.732 1.00 0.00 C ATOM 0 H ALA A 49 1.146 -2.297 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 49 2.707 -2.513 -10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.466 -1.462 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.875 -0.712 -8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.537 -1.855 -7.670 1.00 0.00 H new ATOM 719 N ILE A 50 3.372 -4.844 -8.343 1.00 0.00 N ATOM 720 CA ILE A 50 4.111 -6.081 -8.130 1.00 0.00 C ATOM 721 C ILE A 50 3.427 -7.256 -8.822 1.00 0.00 C ATOM 722 O ILE A 50 4.084 -8.087 -9.448 1.00 0.00 O ATOM 723 CB ILE A 50 4.258 -6.399 -6.630 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.690 -5.148 -5.862 1.00 0.00 C ATOM 725 CG2 ILE A 50 5.259 -7.526 -6.423 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.520 -5.270 -4.364 1.00 0.00 C ATOM 0 H ILE A 50 2.642 -4.665 -7.654 1.00 0.00 H new ATOM 0 HA ILE A 50 5.102 -5.934 -8.561 1.00 0.00 H new ATOM 0 HB ILE A 50 3.291 -6.723 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.736 -4.938 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.111 -4.296 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.352 -7.739 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.914 -8.419 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.230 -7.228 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.846 -4.347 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.471 -5.449 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.121 -6.102 -3.996 1.00 0.00 H new ATOM 738 N GLN A 51 2.104 -7.316 -8.705 1.00 0.00 N ATOM 739 CA GLN A 51 1.332 -8.389 -9.322 1.00 0.00 C ATOM 740 C GLN A 51 0.187 -7.826 -10.156 1.00 0.00 C ATOM 741 O GLN A 51 -0.901 -7.544 -9.651 1.00 0.00 O ATOM 742 CB GLN A 51 0.783 -9.330 -8.249 1.00 0.00 C ATOM 743 CG GLN A 51 0.222 -10.628 -8.807 1.00 0.00 C ATOM 744 CD GLN A 51 -0.195 -11.599 -7.721 1.00 0.00 C ATOM 745 OE1 GLN A 51 -1.382 -11.876 -7.543 1.00 0.00 O ATOM 746 NE2 GLN A 51 0.780 -12.123 -6.988 1.00 0.00 N ATOM 0 H GLN A 51 1.545 -6.636 -8.190 1.00 0.00 H new ATOM 0 HA GLN A 51 1.996 -8.948 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.578 -9.562 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.000 -8.815 -7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.637 -10.405 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.972 -11.100 -9.442 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.750 -11.865 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.559 -12.783 -6.243 1.00 0.00 H new ATOM 755 N PRO A 52 0.434 -7.655 -11.463 1.00 0.00 N ATOM 756 CA PRO A 52 -0.565 -7.123 -12.395 1.00 0.00 C ATOM 757 C PRO A 52 -1.709 -8.101 -12.638 1.00 0.00 C ATOM 758 O PRO A 52 -1.484 -9.268 -12.960 1.00 0.00 O ATOM 759 CB PRO A 52 0.233 -6.902 -13.682 1.00 0.00 C ATOM 760 CG PRO A 52 1.369 -7.862 -13.593 1.00 0.00 C ATOM 761 CD PRO A 52 1.708 -7.969 -12.132 1.00 0.00 C ATOM 0 HA PRO A 52 -1.040 -6.220 -12.012 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.378 -7.092 -14.564 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.588 -5.874 -13.756 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.091 -8.834 -14.001 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.225 -7.508 -14.167 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.062 -8.967 -11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.494 -7.269 -11.849 1.00 0.00 H new ATOM 769 N GLY A 53 -2.937 -7.619 -12.484 1.00 0.00 N ATOM 770 CA GLY A 53 -4.099 -8.464 -12.691 1.00 0.00 C ATOM 771 C GLY A 53 -5.021 -8.488 -11.489 1.00 0.00 C ATOM 772 O GLY A 53 -6.224 -8.716 -11.624 1.00 0.00 O ATOM 0 H GLY A 53 -3.149 -6.657 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.651 -8.110 -13.561 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.771 -9.479 -12.913 1.00 0.00 H new ATOM 776 N SER A 54 -4.459 -8.251 -10.308 1.00 0.00 N ATOM 777 CA SER A 54 -5.239 -8.253 -9.076 1.00 0.00 C ATOM 778 C SER A 54 -6.150 -7.031 -9.009 1.00 0.00 C ATOM 779 O SER A 54 -7.373 -7.151 -9.093 1.00 0.00 O ATOM 780 CB SER A 54 -4.310 -8.275 -7.860 1.00 0.00 C ATOM 781 OG SER A 54 -3.951 -9.604 -7.518 1.00 0.00 O ATOM 0 H SER A 54 -3.466 -8.055 -10.178 1.00 0.00 H new ATOM 0 HA SER A 54 -5.859 -9.150 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.412 -7.696 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.803 -7.798 -7.013 1.00 0.00 H new ATOM 0 HG SER A 54 -3.356 -9.592 -6.739 1.00 0.00 H new ATOM 787 N ILE A 55 -5.546 -5.857 -8.859 1.00 0.00 N ATOM 788 CA ILE A 55 -6.303 -4.613 -8.783 1.00 0.00 C ATOM 789 C ILE A 55 -6.920 -4.261 -10.133 1.00 0.00 C ATOM 790 O ILE A 55 -6.225 -4.193 -11.146 1.00 0.00 O ATOM 791 CB ILE A 55 -5.417 -3.443 -8.315 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.625 -3.841 -7.069 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.269 -2.213 -8.039 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.449 -3.831 -5.800 1.00 0.00 C ATOM 0 H ILE A 55 -4.535 -5.741 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.097 -4.771 -8.054 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.710 -3.201 -9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.210 -4.838 -7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.783 -3.160 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.630 -1.394 -7.709 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.792 -1.921 -8.950 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.997 -2.442 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.823 -4.123 -4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.842 -2.829 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.277 -4.534 -5.898 1.00 0.00 H new ATOM 806 N ASN A 56 -8.230 -4.038 -10.137 1.00 0.00 N ATOM 807 CA ASN A 56 -8.941 -3.690 -11.363 1.00 0.00 C ATOM 808 C ASN A 56 -9.631 -2.336 -11.227 1.00 0.00 C ATOM 809 O ASN A 56 -10.762 -2.248 -10.749 1.00 0.00 O ATOM 810 CB ASN A 56 -9.974 -4.769 -11.700 1.00 0.00 C ATOM 811 CG ASN A 56 -10.256 -4.853 -13.188 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.369 -4.636 -14.013 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.497 -5.169 -13.537 1.00 0.00 N ATOM 0 H ASN A 56 -8.820 -4.092 -9.307 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.212 -3.627 -12.171 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.615 -5.735 -11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.902 -4.559 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.747 -5.240 -14.523 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.201 -5.341 -12.819 1.00 0.00 H new ATOM 820 N TYR A 57 -8.942 -1.283 -11.651 1.00 0.00 N ATOM 821 CA TYR A 57 -9.485 0.068 -11.576 1.00 0.00 C ATOM 822 C TYR A 57 -10.956 0.086 -11.982 1.00 0.00 C ATOM 823 O TYR A 57 -11.737 0.900 -11.488 1.00 0.00 O ATOM 824 CB TYR A 57 -8.686 1.013 -12.474 1.00 0.00 C ATOM 825 CG TYR A 57 -7.516 1.667 -11.774 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.731 0.954 -10.877 1.00 0.00 C ATOM 827 CD2 TYR A 57 -7.195 2.998 -12.010 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.661 1.548 -10.235 1.00 0.00 C ATOM 829 CE2 TYR A 57 -6.127 3.600 -11.374 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.363 2.871 -10.487 1.00 0.00 C ATOM 831 OH TYR A 57 -4.299 3.466 -9.850 1.00 0.00 O ATOM 0 H TYR A 57 -8.005 -1.339 -12.051 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.406 0.407 -10.543 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.318 0.457 -13.337 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.351 1.788 -12.854 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.961 -0.082 -10.678 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.791 3.572 -12.703 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.061 0.979 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.892 4.636 -11.570 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.355 3.292 -8.887 1.00 0.00 H new ATOM 841 N ASP A 58 -11.325 -0.818 -12.882 1.00 0.00 N ATOM 842 CA ASP A 58 -12.703 -0.908 -13.353 1.00 0.00 C ATOM 843 C ASP A 58 -13.675 -0.982 -12.181 1.00 0.00 C ATOM 844 O ASP A 58 -14.713 -0.319 -12.178 1.00 0.00 O ATOM 845 CB ASP A 58 -12.876 -2.133 -14.254 1.00 0.00 C ATOM 846 CG ASP A 58 -13.989 -1.952 -15.268 1.00 0.00 C ATOM 847 OD1 ASP A 58 -15.168 -1.920 -14.857 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.680 -1.842 -16.473 1.00 0.00 O ATOM 0 H ASP A 58 -10.691 -1.499 -13.300 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.924 -0.009 -13.928 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.940 -2.331 -14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.088 -3.007 -13.638 1.00 0.00 H new ATOM 853 N LEU A 59 -13.333 -1.792 -11.186 1.00 0.00 N ATOM 854 CA LEU A 59 -14.176 -1.954 -10.006 1.00 0.00 C ATOM 855 C LEU A 59 -13.934 -0.828 -9.005 1.00 0.00 C ATOM 856 O LEU A 59 -14.844 -0.420 -8.281 1.00 0.00 O ATOM 857 CB LEU A 59 -13.908 -3.306 -9.344 1.00 0.00 C ATOM 858 CG LEU A 59 -13.717 -4.491 -10.292 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.379 -5.751 -9.510 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.964 -4.704 -11.138 1.00 0.00 C ATOM 0 H LEU A 59 -12.478 -2.347 -11.172 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.217 -1.914 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.016 -3.214 -8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.739 -3.532 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.884 -4.268 -10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.247 -6.584 -10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.457 -5.595 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.190 -5.979 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.810 -5.551 -11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.815 -4.905 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.161 -3.808 -11.727 1.00 0.00 H new ATOM 872 N LEU A 60 -12.704 -0.329 -8.971 1.00 0.00 N ATOM 873 CA LEU A 60 -12.341 0.752 -8.061 1.00 0.00 C ATOM 874 C LEU A 60 -13.075 2.039 -8.424 1.00 0.00 C ATOM 875 O LEU A 60 -13.749 2.113 -9.452 1.00 0.00 O ATOM 876 CB LEU A 60 -10.830 0.986 -8.092 1.00 0.00 C ATOM 877 CG LEU A 60 -9.955 -0.265 -8.005 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.482 0.112 -8.039 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.276 -1.053 -6.743 1.00 0.00 C ATOM 0 H LEU A 60 -11.940 -0.656 -9.563 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.636 0.460 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.583 1.514 -9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.568 1.647 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.168 -0.896 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.874 -0.790 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.261 0.634 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.253 0.763 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.644 -1.940 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.091 -0.430 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.323 -1.354 -6.759 1.00 0.00 H new ATOM 891 N LYS A 61 -12.938 3.052 -7.575 1.00 0.00 N ATOM 892 CA LYS A 61 -13.584 4.338 -7.808 1.00 0.00 C ATOM 893 C LYS A 61 -12.553 5.411 -8.149 1.00 0.00 C ATOM 894 O LYS A 61 -12.554 5.959 -9.252 1.00 0.00 O ATOM 895 CB LYS A 61 -14.385 4.760 -6.575 1.00 0.00 C ATOM 896 CG LYS A 61 -15.817 4.255 -6.578 1.00 0.00 C ATOM 897 CD LYS A 61 -15.931 2.895 -5.912 1.00 0.00 C ATOM 898 CE LYS A 61 -17.170 2.147 -6.379 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.116 0.703 -6.019 1.00 0.00 N ATOM 0 H LYS A 61 -12.385 3.007 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.262 4.228 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.881 4.392 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.392 5.848 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.457 4.969 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.178 4.190 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.043 2.304 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.967 3.021 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.056 2.599 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.269 2.248 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.059 0.281 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.439 0.216 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.812 0.603 -5.029 1.00 0.00 H new ATOM 913 N THR A 62 -11.675 5.705 -7.196 1.00 0.00 N ATOM 914 CA THR A 62 -10.639 6.711 -7.396 1.00 0.00 C ATOM 915 C THR A 62 -11.207 7.960 -8.061 1.00 0.00 C ATOM 916 O THR A 62 -10.517 8.636 -8.822 1.00 0.00 O ATOM 917 CB THR A 62 -9.484 6.165 -8.257 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.485 7.176 -8.435 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.992 5.703 -9.614 1.00 0.00 C ATOM 0 H THR A 62 -11.660 5.261 -6.278 1.00 0.00 H new ATOM 0 HA THR A 62 -10.255 6.970 -6.409 1.00 0.00 H new ATOM 0 HB THR A 62 -9.048 5.310 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.904 7.994 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.159 5.322 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.731 4.913 -9.476 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.452 6.543 -10.136 1.00 0.00 H new ATOM 927 N GLU A 63 -12.468 8.259 -7.767 1.00 0.00 N ATOM 928 CA GLU A 63 -13.127 9.428 -8.337 1.00 0.00 C ATOM 929 C GLU A 63 -14.109 10.039 -7.342 1.00 0.00 C ATOM 930 O GLU A 63 -15.100 9.414 -6.968 1.00 0.00 O ATOM 931 CB GLU A 63 -13.860 9.050 -9.626 1.00 0.00 C ATOM 932 CG GLU A 63 -14.961 8.023 -9.421 1.00 0.00 C ATOM 933 CD GLU A 63 -15.293 7.262 -10.689 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.557 7.916 -11.721 1.00 0.00 O ATOM 935 OE2 GLU A 63 -15.291 6.014 -10.652 1.00 0.00 O ATOM 0 H GLU A 63 -13.053 7.709 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.361 10.169 -8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.291 9.949 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.138 8.659 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.655 7.318 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.858 8.525 -9.058 1.00 0.00 H new ATOM 942 N ASN A 64 -13.825 11.266 -6.916 1.00 0.00 N ATOM 943 CA ASN A 64 -14.682 11.962 -5.963 1.00 0.00 C ATOM 944 C ASN A 64 -15.161 11.014 -4.868 1.00 0.00 C ATOM 945 O ASN A 64 -16.333 11.024 -4.492 1.00 0.00 O ATOM 946 CB ASN A 64 -15.883 12.579 -6.682 1.00 0.00 C ATOM 947 CG ASN A 64 -16.771 11.532 -7.326 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.658 10.972 -6.681 1.00 0.00 O ATOM 949 ND2 ASN A 64 -16.534 11.262 -8.605 1.00 0.00 N ATOM 0 H ASN A 64 -13.008 11.798 -7.216 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.097 12.757 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.469 13.161 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.529 13.271 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.098 10.566 -9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.788 11.751 -9.100 1.00 0.00 H new ATOM 956 N LEU A 65 -14.246 10.195 -4.361 1.00 0.00 N ATOM 957 CA LEU A 65 -14.573 9.240 -3.309 1.00 0.00 C ATOM 958 C LEU A 65 -15.297 9.927 -2.155 1.00 0.00 C ATOM 959 O LEU A 65 -15.480 11.144 -2.161 1.00 0.00 O ATOM 960 CB LEU A 65 -13.302 8.560 -2.796 1.00 0.00 C ATOM 961 CG LEU A 65 -12.749 7.430 -3.665 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.241 7.324 -3.505 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.418 6.109 -3.312 1.00 0.00 C ATOM 0 H LEU A 65 -13.272 10.173 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.236 8.485 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.527 9.319 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.503 8.162 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.969 7.659 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.865 6.515 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.776 8.262 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.999 7.119 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.012 5.316 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.229 5.874 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.492 6.189 -3.478 1.00 0.00 H new ATOM 975 N ASN A 66 -15.703 9.140 -1.165 1.00 0.00 N ATOM 976 CA ASN A 66 -16.405 9.673 -0.003 1.00 0.00 C ATOM 977 C ASN A 66 -16.394 8.671 1.147 1.00 0.00 C ATOM 978 O ASN A 66 -16.070 7.497 0.958 1.00 0.00 O ATOM 979 CB ASN A 66 -17.848 10.028 -0.371 1.00 0.00 C ATOM 980 CG ASN A 66 -18.423 9.095 -1.419 1.00 0.00 C ATOM 981 OD1 ASN A 66 -18.083 9.183 -2.599 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.301 8.195 -0.991 1.00 0.00 N ATOM 0 H ASN A 66 -15.558 8.131 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.887 10.576 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.468 9.991 0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.884 11.053 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.723 7.541 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.553 8.158 -0.003 1.00 0.00 H new ATOM 989 N ASP A 67 -16.751 9.140 2.338 1.00 0.00 N ATOM 990 CA ASP A 67 -16.785 8.285 3.518 1.00 0.00 C ATOM 991 C ASP A 67 -17.287 6.888 3.164 1.00 0.00 C ATOM 992 O ASP A 67 -16.848 5.894 3.742 1.00 0.00 O ATOM 993 CB ASP A 67 -17.675 8.902 4.597 1.00 0.00 C ATOM 994 CG ASP A 67 -17.429 8.301 5.966 1.00 0.00 C ATOM 995 OD1 ASP A 67 -17.722 7.100 6.148 1.00 0.00 O ATOM 996 OD2 ASP A 67 -16.943 9.029 6.857 1.00 0.00 O ATOM 0 H ASP A 67 -17.021 10.108 2.511 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.769 8.199 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.498 9.977 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.721 8.761 4.325 1.00 0.00 H new ATOM 1001 N ASP A 68 -18.211 6.821 2.211 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.773 5.548 1.780 1.00 0.00 C ATOM 1003 C ASP A 68 -17.815 4.819 0.843 1.00 0.00 C ATOM 1004 O ASP A 68 -17.302 3.751 1.174 1.00 0.00 O ATOM 1005 CB ASP A 68 -20.117 5.769 1.083 1.00 0.00 C ATOM 1006 CG ASP A 68 -21.042 6.667 1.881 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.938 7.904 1.739 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.871 6.133 2.648 1.00 0.00 O ATOM 0 H ASP A 68 -18.586 7.634 1.723 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.928 4.930 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.946 6.210 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.601 4.806 0.920 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.580 5.404 -0.326 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.684 4.809 -1.312 1.00 0.00 C ATOM 1015 C GLU A 69 -15.306 4.550 -0.708 1.00 0.00 C ATOM 1016 O GLU A 69 -14.813 3.423 -0.720 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.554 5.722 -2.532 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.880 6.025 -3.210 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.311 4.929 -4.166 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.179 3.740 -3.803 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.779 5.258 -5.275 1.00 0.00 O ATOM 0 H GLU A 69 -17.997 6.289 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.110 3.856 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -16.090 6.659 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.884 5.256 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.649 6.162 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.799 6.966 -3.755 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.690 5.603 -0.180 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.371 5.492 0.429 1.00 0.00 C ATOM 1030 C LYS A 70 -13.224 4.168 1.172 1.00 0.00 C ATOM 1031 O LYS A 70 -12.207 3.485 1.049 1.00 0.00 O ATOM 1032 CB LYS A 70 -13.131 6.658 1.390 1.00 0.00 C ATOM 1033 CG LYS A 70 -13.144 8.018 0.713 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.918 9.140 1.712 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.437 9.431 1.898 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.180 10.243 3.120 1.00 0.00 N ATOM 0 H LYS A 70 -15.084 6.543 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.627 5.526 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.896 6.641 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.170 6.517 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.370 8.051 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.099 8.165 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.427 10.041 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.360 8.869 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.888 8.492 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.058 9.961 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.317 10.807 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.986 10.878 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.058 9.611 3.937 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.246 3.811 1.942 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.232 2.567 2.704 1.00 0.00 C ATOM 1052 C LEU A 71 -14.062 1.365 1.781 1.00 0.00 C ATOM 1053 O LEU A 71 -13.057 0.657 1.846 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.524 2.425 3.511 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.784 1.050 4.126 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.647 0.658 5.057 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.112 1.041 4.870 1.00 0.00 C ATOM 0 H LEU A 71 -15.095 4.365 2.055 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.385 2.599 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.510 3.163 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.363 2.675 2.862 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.836 0.317 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.850 -0.324 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.713 0.623 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.562 1.393 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.281 0.054 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.088 1.786 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.919 1.277 4.176 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.050 1.141 0.921 1.00 0.00 N ATOM 1070 CA ASN A 72 -15.008 0.025 -0.017 1.00 0.00 C ATOM 1071 C ASN A 72 -13.603 -0.160 -0.582 1.00 0.00 C ATOM 1072 O ASN A 72 -13.144 -1.284 -0.776 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.002 0.254 -1.159 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.415 0.484 -0.658 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.229 -0.439 -0.616 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.712 1.721 -0.274 1.00 0.00 N ATOM 0 H ASN A 72 -15.889 1.717 0.854 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.285 -0.880 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.683 1.115 -1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.991 -0.609 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.647 1.937 0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.005 2.455 -0.326 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.924 0.953 -0.841 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.571 0.914 -1.382 1.00 0.00 C ATOM 1085 C ASN A 73 -10.595 0.325 -0.367 1.00 0.00 C ATOM 1086 O ASN A 73 -9.743 -0.492 -0.714 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.118 2.320 -1.783 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.707 2.759 -3.110 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.643 2.145 -3.621 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.158 3.830 -3.674 1.00 0.00 N ATOM 0 H ASN A 73 -13.289 1.893 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.579 0.276 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.409 3.028 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.030 2.345 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.512 4.174 -4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.383 4.308 -3.214 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.729 0.745 0.886 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.862 0.257 1.952 1.00 0.00 C ATOM 1099 C ALA A 74 -10.038 -1.244 2.158 1.00 0.00 C ATOM 1100 O ALA A 74 -9.062 -1.978 2.315 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.143 1.006 3.246 1.00 0.00 C ATOM 0 H ALA A 74 -11.429 1.422 1.188 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.828 0.439 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.488 0.631 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.959 2.070 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.183 0.854 3.536 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.288 -1.694 2.158 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.592 -3.108 2.345 1.00 0.00 C ATOM 1109 C LYS A 75 -11.027 -3.942 1.200 1.00 0.00 C ATOM 1110 O LYS A 75 -10.527 -5.047 1.412 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.106 -3.316 2.444 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.782 -2.399 3.447 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.210 -2.835 3.728 1.00 0.00 C ATOM 1114 CE LYS A 75 -16.101 -2.643 2.510 1.00 0.00 C ATOM 1115 NZ LYS A 75 -17.344 -3.457 2.598 1.00 0.00 N ATOM 0 H LYS A 75 -12.107 -1.100 2.031 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.125 -3.435 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.551 -3.157 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.305 -4.352 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.213 -2.393 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.781 -1.378 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.220 -3.884 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.608 -2.262 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.363 -1.589 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.550 -2.917 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.924 -3.298 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.095 -4.465 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.883 -3.178 3.443 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.109 -3.406 -0.013 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.607 -4.102 -1.192 1.00 0.00 C ATOM 1131 C TYR A 76 -9.089 -4.250 -1.131 1.00 0.00 C ATOM 1132 O TYR A 76 -8.556 -5.349 -1.271 1.00 0.00 O ATOM 1133 CB TYR A 76 -11.007 -3.352 -2.462 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.773 -4.140 -3.731 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.538 -5.261 -4.026 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.785 -3.764 -4.633 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.327 -5.985 -5.184 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.568 -4.482 -5.794 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.341 -5.591 -6.064 1.00 0.00 C ATOM 1140 OH TYR A 76 -10.128 -6.309 -7.218 1.00 0.00 O ATOM 0 H TYR A 76 -11.518 -2.492 -0.205 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.051 -5.097 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.062 -3.086 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.445 -2.419 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.311 -5.572 -3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.177 -2.897 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.931 -6.854 -5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.797 -4.176 -6.486 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.399 -5.899 -7.729 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.401 -3.133 -0.920 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.945 -3.137 -0.838 1.00 0.00 C ATOM 1152 C ALA A 77 -6.449 -4.255 0.071 1.00 0.00 C ATOM 1153 O ALA A 77 -5.690 -5.125 -0.357 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.442 -1.788 -0.343 1.00 0.00 C ATOM 0 H ALA A 77 -8.828 -2.214 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.549 -3.316 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.354 -1.804 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.758 -1.006 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.854 -1.587 0.646 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.883 -4.227 1.327 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.483 -5.240 2.295 1.00 0.00 C ATOM 1162 C ILE A 78 -6.816 -6.641 1.796 1.00 0.00 C ATOM 1163 O ILE A 78 -6.034 -7.575 1.968 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.167 -5.017 3.658 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.814 -3.634 4.209 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.760 -6.105 4.639 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.457 -3.335 5.546 1.00 0.00 C ATOM 0 H ILE A 78 -7.511 -3.514 1.697 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.404 -5.149 2.419 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.247 -5.067 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.731 -3.557 4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.121 -2.875 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.251 -5.934 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.058 -7.078 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.679 -6.085 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.163 -2.339 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.542 -3.379 5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.130 -4.072 6.280 1.00 0.00 H new ATOM 1179 N SER A 79 -7.983 -6.779 1.173 1.00 0.00 N ATOM 1180 CA SER A 79 -8.421 -8.068 0.649 1.00 0.00 C ATOM 1181 C SER A 79 -7.362 -8.669 -0.269 1.00 0.00 C ATOM 1182 O SER A 79 -6.982 -9.830 -0.119 1.00 0.00 O ATOM 1183 CB SER A 79 -9.741 -7.911 -0.110 1.00 0.00 C ATOM 1184 OG SER A 79 -10.284 -9.174 -0.453 1.00 0.00 O ATOM 0 H SER A 79 -8.641 -6.015 1.019 1.00 0.00 H new ATOM 0 HA SER A 79 -8.572 -8.743 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.454 -7.359 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.577 -7.324 -1.014 1.00 0.00 H new ATOM 0 HG SER A 79 -11.127 -9.047 -0.936 1.00 0.00 H new ATOM 1190 N MET A 80 -6.890 -7.871 -1.222 1.00 0.00 N ATOM 1191 CA MET A 80 -5.874 -8.324 -2.164 1.00 0.00 C ATOM 1192 C MET A 80 -4.620 -8.789 -1.430 1.00 0.00 C ATOM 1193 O MET A 80 -4.067 -9.845 -1.735 1.00 0.00 O ATOM 1194 CB MET A 80 -5.518 -7.201 -3.142 1.00 0.00 C ATOM 1195 CG MET A 80 -6.413 -7.160 -4.370 1.00 0.00 C ATOM 1196 SD MET A 80 -8.151 -7.434 -3.973 1.00 0.00 S ATOM 1197 CE MET A 80 -8.586 -8.671 -5.193 1.00 0.00 C ATOM 0 H MET A 80 -7.195 -6.908 -1.362 1.00 0.00 H new ATOM 0 HA MET A 80 -6.282 -9.167 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.582 -6.244 -2.623 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.483 -7.322 -3.461 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.305 -6.193 -4.861 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.083 -7.918 -5.081 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.635 -8.945 -5.076 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.426 -8.268 -6.193 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.963 -9.554 -5.054 1.00 0.00 H new ATOM 1207 N ALA A 81 -4.177 -7.994 -0.461 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.990 -8.326 0.317 1.00 0.00 C ATOM 1209 C ALA A 81 -2.943 -9.816 0.638 1.00 0.00 C ATOM 1210 O ALA A 81 -2.023 -10.522 0.224 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.953 -7.507 1.599 1.00 0.00 C ATOM 0 H ALA A 81 -4.623 -7.115 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.113 -8.082 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.061 -7.765 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.931 -6.446 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.840 -7.723 2.194 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.941 -10.289 1.378 1.00 0.00 N ATOM 1218 CA ARG A 82 -4.012 -11.695 1.756 1.00 0.00 C ATOM 1219 C ARG A 82 -4.013 -12.591 0.520 1.00 0.00 C ATOM 1220 O ARG A 82 -3.381 -13.648 0.506 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.267 -11.958 2.590 1.00 0.00 C ATOM 1222 CG ARG A 82 -5.224 -13.271 3.357 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.714 -14.430 2.503 1.00 0.00 C ATOM 1224 NE ARG A 82 -6.064 -15.595 3.311 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.351 -16.786 2.798 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -6.327 -16.970 1.485 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -6.660 -17.798 3.599 1.00 0.00 N ATOM 0 H ARG A 82 -4.711 -9.719 1.727 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.131 -11.930 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.402 -11.139 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.136 -11.959 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.204 -13.467 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.840 -13.191 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.584 -14.114 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.940 -14.705 1.786 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.089 -15.488 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.088 -16.196 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.548 -17.886 1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.677 -17.662 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.880 -18.712 3.204 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.725 -12.161 -0.515 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.809 -12.922 -1.756 1.00 0.00 C ATOM 1243 C LYS A 83 -3.420 -13.315 -2.247 1.00 0.00 C ATOM 1244 O LYS A 83 -3.146 -14.493 -2.484 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.529 -12.106 -2.832 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.283 -12.957 -3.838 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.616 -13.428 -3.284 1.00 0.00 C ATOM 1248 CE LYS A 83 -8.669 -12.332 -3.359 1.00 0.00 C ATOM 1249 NZ LYS A 83 -9.998 -12.808 -2.885 1.00 0.00 N ATOM 0 H LYS A 83 -5.253 -11.288 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.377 -13.831 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.228 -11.423 -2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.799 -11.494 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.450 -12.382 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.677 -13.820 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.956 -14.300 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.490 -13.743 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.352 -11.481 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.755 -11.980 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.688 -12.033 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.313 -13.604 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.922 -13.120 -1.896 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.547 -12.325 -2.396 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.186 -12.569 -2.857 1.00 0.00 C ATOM 1265 C ILE A 84 -0.332 -13.178 -1.750 1.00 0.00 C ATOM 1266 O ILE A 84 0.718 -13.764 -2.011 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.517 -11.273 -3.351 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.610 -10.185 -2.279 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.163 -10.805 -4.647 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.276 -8.990 -2.552 1.00 0.00 C ATOM 0 H ILE A 84 -2.758 -11.346 -2.204 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.256 -13.271 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 84 0.536 -11.476 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.644 -9.850 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.341 -10.614 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.680 -9.888 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.050 -11.576 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.223 -10.615 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.159 -8.260 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.316 -9.312 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.007 -8.536 -3.502 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.792 -13.036 -0.510 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.058 -13.579 0.619 1.00 0.00 C ATOM 1284 C GLY A 85 0.544 -12.497 1.493 1.00 0.00 C ATOM 1285 O GLY A 85 1.753 -12.476 1.722 1.00 0.00 O ATOM 0 H GLY A 85 -1.658 -12.555 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.726 -14.197 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.736 -14.230 0.253 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.300 -11.594 1.983 1.00 0.00 N ATOM 1290 CA ALA A 86 0.156 -10.505 2.836 1.00 0.00 C ATOM 1291 C ALA A 86 -0.627 -10.468 4.145 1.00 0.00 C ATOM 1292 O ALA A 86 -1.060 -9.405 4.590 1.00 0.00 O ATOM 1293 CB ALA A 86 0.032 -9.175 2.107 1.00 0.00 C ATOM 0 H ALA A 86 -1.304 -11.596 1.803 1.00 0.00 H new ATOM 0 HA ALA A 86 1.205 -10.679 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.376 -8.370 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.641 -9.197 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.010 -9.003 1.838 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.805 -11.635 4.755 1.00 0.00 N ATOM 1300 CA ARG A 87 -1.538 -11.736 6.012 1.00 0.00 C ATOM 1301 C ARG A 87 -1.302 -10.503 6.879 1.00 0.00 C ATOM 1302 O ARG A 87 -0.279 -10.393 7.556 1.00 0.00 O ATOM 1303 CB ARG A 87 -1.117 -12.995 6.772 1.00 0.00 C ATOM 1304 CG ARG A 87 -2.137 -13.453 7.802 1.00 0.00 C ATOM 1305 CD ARG A 87 -1.783 -14.820 8.366 1.00 0.00 C ATOM 1306 NE ARG A 87 -0.904 -14.723 9.528 1.00 0.00 N ATOM 1307 CZ ARG A 87 -1.299 -14.272 10.714 1.00 0.00 C ATOM 1308 NH1 ARG A 87 -2.553 -13.879 10.892 1.00 0.00 N ATOM 1309 NH2 ARG A 87 -0.440 -14.213 11.723 1.00 0.00 N ATOM 0 H ARG A 87 -0.452 -12.524 4.400 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.601 -11.798 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.947 -13.801 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.167 -12.807 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.189 -12.726 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.126 -13.492 7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.697 -15.344 8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.298 -15.416 7.593 1.00 0.00 H new ATOM 0 HE ARG A 87 0.067 -15.018 9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.216 -13.923 10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.855 -13.533 11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.525 -14.514 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.745 -13.867 12.633 1.00 0.00 H new ATOM 1323 N VAL A 88 -2.254 -9.576 6.852 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.151 -8.351 7.637 1.00 0.00 C ATOM 1325 C VAL A 88 -3.225 -8.298 8.717 1.00 0.00 C ATOM 1326 O VAL A 88 -4.286 -8.909 8.584 1.00 0.00 O ATOM 1327 CB VAL A 88 -2.276 -7.102 6.744 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -3.666 -7.017 6.134 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -1.956 -5.845 7.540 1.00 0.00 C ATOM 0 H VAL A 88 -3.105 -9.650 6.295 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.168 -8.358 8.107 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.554 -7.184 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.734 -6.128 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.852 -7.904 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.409 -6.958 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.049 -4.972 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.652 -5.755 8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.937 -5.906 7.923 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.942 -7.565 9.789 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.883 -7.434 10.895 1.00 0.00 C ATOM 1341 C TYR A 89 -4.263 -5.972 11.117 1.00 0.00 C ATOM 1342 O TYR A 89 -3.755 -5.319 12.028 1.00 0.00 O ATOM 1343 CB TYR A 89 -3.282 -8.016 12.175 1.00 0.00 C ATOM 1344 CG TYR A 89 -4.317 -8.472 13.178 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.911 -9.725 13.071 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -4.702 -7.652 14.232 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.858 -10.146 13.984 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -5.647 -8.066 15.150 1.00 0.00 C ATOM 1349 CZ TYR A 89 -6.223 -9.313 15.022 1.00 0.00 C ATOM 1350 OH TYR A 89 -7.165 -9.729 15.934 1.00 0.00 O ATOM 0 H TYR A 89 -2.069 -7.053 9.915 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.785 -7.990 10.639 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.644 -8.860 11.915 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.644 -7.265 12.640 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.627 -10.380 12.260 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.255 -6.674 14.335 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.310 -11.122 13.886 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.934 -7.417 15.964 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.307 -9.026 16.601 1.00 0.00 H new ATOM 1360 N ALA A 90 -5.160 -5.468 10.276 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.611 -4.085 10.381 1.00 0.00 C ATOM 1362 C ALA A 90 -7.057 -3.943 9.917 1.00 0.00 C ATOM 1363 O ALA A 90 -7.669 -4.907 9.456 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.703 -3.171 9.572 1.00 0.00 C ATOM 0 H ALA A 90 -5.588 -5.995 9.515 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.563 -3.791 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.051 -2.142 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.684 -3.242 9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.723 -3.473 8.525 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.596 -2.735 10.041 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.971 -2.467 9.635 1.00 0.00 C ATOM 1372 C LEU A 91 -9.025 -1.352 8.595 1.00 0.00 C ATOM 1373 O LEU A 91 -8.336 -0.337 8.703 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.818 -2.085 10.851 1.00 0.00 C ATOM 1375 CG LEU A 91 -11.324 -2.314 10.717 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.627 -3.794 10.542 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -12.058 -1.757 11.930 1.00 0.00 C ATOM 0 H LEU A 91 -7.102 -1.926 10.419 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.375 -3.376 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.460 -2.651 11.711 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.649 -1.031 11.070 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.674 -1.786 9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.704 -3.936 10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.133 -4.163 9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.262 -4.345 11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.129 -1.929 11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.703 -2.257 12.831 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.869 -0.687 12.010 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.861 -1.543 7.564 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.026 -0.563 6.487 1.00 0.00 C ATOM 1391 C PRO A 92 -10.736 0.701 6.956 1.00 0.00 C ATOM 1392 O PRO A 92 -10.718 1.724 6.272 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.882 -1.308 5.458 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.628 -2.324 6.251 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.711 -2.730 7.372 1.00 0.00 C ATOM 0 HA PRO A 92 -9.067 -0.221 6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.563 -0.630 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.263 -1.778 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.559 -1.910 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.894 -3.182 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.267 -2.977 8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.121 -3.609 7.111 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.362 0.623 8.127 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.080 1.763 8.686 1.00 0.00 C ATOM 1405 C GLU A 93 -11.113 2.883 9.062 1.00 0.00 C ATOM 1406 O GLU A 93 -11.371 4.055 8.791 1.00 0.00 O ATOM 1407 CB GLU A 93 -12.883 1.334 9.915 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.013 0.368 9.597 1.00 0.00 C ATOM 1409 CD GLU A 93 -14.638 -0.228 10.843 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.051 0.548 11.730 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -14.716 -1.471 10.931 1.00 0.00 O ATOM 0 H GLU A 93 -11.386 -0.216 8.706 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.765 2.138 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.209 0.868 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.298 2.220 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.780 0.888 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.633 -0.435 8.966 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.002 2.511 9.688 1.00 0.00 N ATOM 1419 CA ASP A 94 -8.996 3.483 10.101 1.00 0.00 C ATOM 1420 C ASP A 94 -8.144 3.922 8.914 1.00 0.00 C ATOM 1421 O ASP A 94 -7.606 5.029 8.898 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.104 2.892 11.194 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.899 2.399 12.387 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.774 1.529 12.197 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.647 2.884 13.510 1.00 0.00 O ATOM 0 H ASP A 94 -9.775 1.544 9.921 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.512 4.357 10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.526 2.066 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.390 3.647 11.524 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.026 3.046 7.921 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.239 3.343 6.730 1.00 0.00 C ATOM 1432 C LEU A 95 -7.824 4.530 5.971 1.00 0.00 C ATOM 1433 O LEU A 95 -7.092 5.334 5.395 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.180 2.118 5.816 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.617 2.353 4.413 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.193 2.883 4.492 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.665 1.070 3.597 1.00 0.00 C ATOM 0 H LEU A 95 -8.465 2.125 7.918 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.229 3.602 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.576 1.354 6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.188 1.714 5.718 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.235 3.100 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.808 3.044 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.186 3.826 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.563 2.159 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.261 1.256 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.071 0.302 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.698 0.732 3.511 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.150 4.635 5.978 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.835 5.725 5.294 1.00 0.00 C ATOM 1451 C VAL A 96 -9.412 7.077 5.857 1.00 0.00 C ATOM 1452 O VAL A 96 -9.431 8.086 5.152 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.364 5.587 5.410 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.049 6.882 4.998 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.859 4.421 4.568 1.00 0.00 C ATOM 0 H VAL A 96 -9.771 3.978 6.450 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.552 5.668 4.243 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.616 5.386 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.129 6.766 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.717 7.692 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.792 7.117 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.942 4.338 4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.597 4.590 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.393 3.498 4.914 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.032 7.090 7.131 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.606 8.319 7.788 1.00 0.00 C ATOM 1467 C GLU A 97 -7.086 8.372 7.911 1.00 0.00 C ATOM 1468 O GLU A 97 -6.548 8.905 8.882 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.245 8.432 9.174 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.736 8.723 9.135 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.210 9.496 10.350 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.043 10.733 10.369 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -11.750 8.864 11.282 1.00 0.00 O ATOM 0 H GLU A 97 -9.011 6.263 7.728 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.933 9.159 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.079 7.502 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.744 9.222 9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.968 9.291 8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.284 7.783 9.070 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.398 7.814 6.920 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.940 7.797 6.916 1.00 0.00 C ATOM 1482 C VAL A 98 -4.388 7.674 8.332 1.00 0.00 C ATOM 1483 O VAL A 98 -3.540 8.462 8.748 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.365 9.066 6.261 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.871 8.915 6.021 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.095 9.371 4.961 1.00 0.00 C ATOM 0 H VAL A 98 -6.827 7.368 6.109 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.636 6.927 6.334 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.515 9.904 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.483 9.822 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.365 8.749 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.692 8.066 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.676 10.271 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.979 8.533 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.154 9.527 5.166 1.00 0.00 H new ATOM 1496 N ASN A 99 -4.875 6.681 9.067 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.430 6.454 10.438 1.00 0.00 C ATOM 1498 C ASN A 99 -3.232 5.510 10.471 1.00 0.00 C ATOM 1499 O ASN A 99 -3.327 4.333 10.122 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.571 5.878 11.278 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.416 6.959 11.925 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.141 8.149 11.775 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.450 6.547 12.650 1.00 0.00 N ATOM 0 H ASN A 99 -5.578 6.020 8.737 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.127 7.413 10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.204 5.255 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.158 5.231 12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.054 7.228 13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.640 5.550 12.747 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.076 6.036 10.903 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.837 5.258 10.994 1.00 0.00 C ATOM 1512 C PRO A 100 -0.888 4.214 12.105 1.00 0.00 C ATOM 1513 O PRO A 100 0.066 3.466 12.311 1.00 0.00 O ATOM 1514 CB PRO A 100 0.224 6.316 11.304 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.524 7.422 11.965 1.00 0.00 C ATOM 1516 CD PRO A 100 -1.890 7.432 11.334 1.00 0.00 C ATOM 0 HA PRO A 100 -0.643 4.694 10.082 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.001 5.918 11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.717 6.660 10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.592 7.259 13.041 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.019 8.377 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.658 7.739 12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.939 8.123 10.492 1.00 0.00 H new ATOM 1524 N LYS A 101 -2.010 4.170 12.817 1.00 0.00 N ATOM 1525 CA LYS A 101 -2.188 3.216 13.905 1.00 0.00 C ATOM 1526 C LYS A 101 -2.458 1.816 13.363 1.00 0.00 C ATOM 1527 O LYS A 101 -2.022 0.822 13.942 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.340 3.655 14.811 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.002 4.844 15.693 1.00 0.00 C ATOM 1530 CD LYS A 101 -3.320 6.160 15.002 1.00 0.00 C ATOM 1531 CE LYS A 101 -2.662 7.335 15.710 1.00 0.00 C ATOM 1532 NZ LYS A 101 -3.451 8.588 15.555 1.00 0.00 N ATOM 0 H LYS A 101 -2.809 4.784 12.660 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.266 3.189 14.486 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.202 3.906 14.193 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.634 2.817 15.443 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.562 4.777 16.626 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.944 4.815 15.954 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.980 6.120 13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.400 6.307 14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.551 7.105 16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.659 7.485 15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.970 9.365 16.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.536 8.822 14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.399 8.453 15.960 1.00 0.00 H new ATOM 1546 N MET A 102 -3.178 1.746 12.248 1.00 0.00 N ATOM 1547 CA MET A 102 -3.503 0.467 11.628 1.00 0.00 C ATOM 1548 C MET A 102 -2.640 0.227 10.393 1.00 0.00 C ATOM 1549 O MET A 102 -2.368 -0.916 10.026 1.00 0.00 O ATOM 1550 CB MET A 102 -4.983 0.423 11.246 1.00 0.00 C ATOM 1551 CG MET A 102 -5.885 -0.073 12.365 1.00 0.00 C ATOM 1552 SD MET A 102 -5.905 1.037 13.785 1.00 0.00 S ATOM 1553 CE MET A 102 -5.573 -0.111 15.118 1.00 0.00 C ATOM 0 H MET A 102 -3.547 2.560 11.756 1.00 0.00 H new ATOM 0 HA MET A 102 -3.298 -0.322 12.352 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.303 1.422 10.948 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.107 -0.224 10.377 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.900 -0.188 11.984 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.551 -1.060 12.685 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.554 0.427 16.066 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.355 -0.870 15.148 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.608 -0.590 14.954 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.214 1.313 9.754 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.381 1.219 8.562 1.00 0.00 C ATOM 1565 C VAL A 103 0.000 0.667 8.896 1.00 0.00 C ATOM 1566 O VAL A 103 0.716 0.184 8.020 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.221 2.592 7.879 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.159 2.528 6.793 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.552 3.060 7.310 1.00 0.00 C ATOM 0 H VAL A 103 -2.432 2.267 10.042 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.885 0.536 7.878 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.897 3.316 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.060 3.506 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.795 2.240 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.449 1.792 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.422 4.031 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.908 2.338 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.281 3.147 8.115 1.00 0.00 H new ATOM 1579 N MET A 104 0.369 0.744 10.171 1.00 0.00 N ATOM 1580 CA MET A 104 1.664 0.249 10.623 1.00 0.00 C ATOM 1581 C MET A 104 1.907 -1.172 10.126 1.00 0.00 C ATOM 1582 O MET A 104 3.045 -1.562 9.859 1.00 0.00 O ATOM 1583 CB MET A 104 1.746 0.290 12.150 1.00 0.00 C ATOM 1584 CG MET A 104 1.231 -0.974 12.819 1.00 0.00 C ATOM 1585 SD MET A 104 -0.553 -1.175 12.645 1.00 0.00 S ATOM 1586 CE MET A 104 -0.809 -2.703 13.544 1.00 0.00 C ATOM 0 H MET A 104 -0.210 1.144 10.909 1.00 0.00 H new ATOM 0 HA MET A 104 2.437 0.896 10.208 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.782 0.452 12.446 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.174 1.143 12.514 1.00 0.00 H new ATOM 0 HG2 MET A 104 1.734 -1.839 12.388 1.00 0.00 H new ATOM 0 HG3 MET A 104 1.489 -0.951 13.878 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.578 -3.294 13.046 1.00 0.00 H new ATOM 0 HE2 MET A 104 0.122 -3.269 13.572 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.127 -2.477 14.562 1.00 0.00 H new ATOM 1596 N THR A 105 0.831 -1.943 10.005 1.00 0.00 N ATOM 1597 CA THR A 105 0.927 -3.322 9.541 1.00 0.00 C ATOM 1598 C THR A 105 0.629 -3.424 8.051 1.00 0.00 C ATOM 1599 O THR A 105 0.921 -4.438 7.416 1.00 0.00 O ATOM 1600 CB THR A 105 -0.038 -4.242 10.312 1.00 0.00 C ATOM 1601 OG1 THR A 105 0.213 -5.611 9.973 1.00 0.00 O ATOM 1602 CG2 THR A 105 -1.485 -3.894 9.995 1.00 0.00 C ATOM 0 H THR A 105 -0.117 -1.636 10.222 1.00 0.00 H new ATOM 0 HA THR A 105 1.951 -3.647 9.725 1.00 0.00 H new ATOM 0 HB THR A 105 0.130 -4.096 11.379 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.288 -6.195 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.149 -4.557 10.551 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.682 -2.861 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.663 -4.015 8.926 1.00 0.00 H new ATOM 1610 N VAL A 106 0.043 -2.368 7.496 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.294 -2.337 6.077 1.00 0.00 C ATOM 1612 C VAL A 106 0.961 -2.346 5.214 1.00 0.00 C ATOM 1613 O VAL A 106 1.284 -3.350 4.578 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.137 -1.096 5.728 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.147 -0.864 4.224 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.553 -1.246 6.262 1.00 0.00 C ATOM 0 H VAL A 106 -0.208 -1.522 8.007 1.00 0.00 H new ATOM 0 HA VAL A 106 -0.879 -3.233 5.870 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.685 -0.225 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.747 0.017 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.127 -0.709 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.574 -1.734 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.134 -0.360 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.018 -2.126 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.523 -1.360 7.346 1.00 0.00 H new ATOM 1626 N PHE A 107 1.668 -1.220 5.195 1.00 0.00 N ATOM 1627 CA PHE A 107 2.890 -1.097 4.408 1.00 0.00 C ATOM 1628 C PHE A 107 3.976 -2.028 4.940 1.00 0.00 C ATOM 1629 O PHE A 107 4.576 -2.794 4.188 1.00 0.00 O ATOM 1630 CB PHE A 107 3.389 0.349 4.424 1.00 0.00 C ATOM 1631 CG PHE A 107 2.683 1.238 3.440 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.596 0.881 2.104 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.108 2.429 3.851 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.948 1.697 1.196 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.459 3.249 2.947 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.379 2.883 1.618 1.00 0.00 C ATOM 0 H PHE A 107 1.416 -0.380 5.716 1.00 0.00 H new ATOM 0 HA PHE A 107 2.661 -1.384 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.262 0.758 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.457 0.359 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 107 3.039 -0.045 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.167 2.720 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.887 1.408 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.015 4.175 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.873 3.522 0.910 1.00 0.00 H new ATOM 1646 N ALA A 108 4.223 -1.955 6.244 1.00 0.00 N ATOM 1647 CA ALA A 108 5.234 -2.790 6.878 1.00 0.00 C ATOM 1648 C ALA A 108 5.224 -4.200 6.298 1.00 0.00 C ATOM 1649 O ALA A 108 6.242 -4.683 5.798 1.00 0.00 O ATOM 1650 CB ALA A 108 5.013 -2.837 8.384 1.00 0.00 C ATOM 0 H ALA A 108 3.736 -1.325 6.882 1.00 0.00 H new ATOM 0 HA ALA A 108 6.210 -2.349 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.776 -3.465 8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.077 -1.829 8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.027 -3.251 8.594 1.00 0.00 H new ATOM 1656 N CYS A 109 4.071 -4.856 6.365 1.00 0.00 N ATOM 1657 CA CYS A 109 3.930 -6.212 5.847 1.00 0.00 C ATOM 1658 C CYS A 109 4.408 -6.293 4.401 1.00 0.00 C ATOM 1659 O CYS A 109 5.140 -7.211 4.028 1.00 0.00 O ATOM 1660 CB CYS A 109 2.473 -6.667 5.941 1.00 0.00 C ATOM 1661 SG CYS A 109 1.946 -7.111 7.613 1.00 0.00 S ATOM 0 H CYS A 109 3.220 -4.470 6.773 1.00 0.00 H new ATOM 0 HA CYS A 109 4.549 -6.873 6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.830 -5.870 5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 109 2.329 -7.526 5.286 1.00 0.00 H new ATOM 0 HG CYS A 109 1.340 -6.099 8.160 1.00 0.00 H new ATOM 1667 N LEU A 110 3.989 -5.329 3.590 1.00 0.00 N ATOM 1668 CA LEU A 110 4.372 -5.291 2.183 1.00 0.00 C ATOM 1669 C LEU A 110 5.879 -5.106 2.035 1.00 0.00 C ATOM 1670 O LEU A 110 6.497 -5.661 1.126 1.00 0.00 O ATOM 1671 CB LEU A 110 3.635 -4.163 1.461 1.00 0.00 C ATOM 1672 CG LEU A 110 2.130 -4.359 1.270 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.430 -3.015 1.132 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.857 -5.233 0.055 1.00 0.00 C ATOM 0 H LEU A 110 3.383 -4.562 3.882 1.00 0.00 H new ATOM 0 HA LEU A 110 4.094 -6.243 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.793 -3.239 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.091 -4.027 0.480 1.00 0.00 H new ATOM 0 HG LEU A 110 1.733 -4.863 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.360 -3.174 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.598 -2.423 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.830 -2.484 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.781 -5.362 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.268 -4.757 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.326 -6.207 0.195 1.00 0.00 H new