USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 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 50 CYS SG : rot 180:sc= 0.342 USER MOD Set 1.2: A 59 THR OG1 : rot -68:sc= 0.407 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.257 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.729 K(o=-0.73,f=-6.8!) USER MOD Single : A 14 HIS : no HE2:sc= -7.17! C(o=-7.2!,f=-3.9!) USER MOD Single : A 16 ASN : amide:sc=-0.00512 K(o=-0.0051,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 170:sc= -0.0339 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.6!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -6.1! C(o=-6.1!,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 125:sc= 0.194 USER MOD Single : A 73 GLN : amide:sc= -4.75! C(o=-4.7!,f=-11!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.02) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 138:sc= 0.0459 USER MOD Single : A 103 HIS : no HD1:sc= 0.273 K(o=0.27,f=-1.8!) USER MOD Single : A 105 GLN : amide:sc= -0.471 K(o=-0.47,f=0.16) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.356 -1.297 -11.676 1.00 0.00 N ATOM 114 CA CYS A 11 3.561 -0.612 -11.222 1.00 0.00 C ATOM 115 C CYS A 11 3.389 -0.097 -9.797 1.00 0.00 C ATOM 116 O CYS A 11 4.350 -0.028 -9.031 1.00 0.00 O ATOM 117 CB CYS A 11 3.897 0.548 -12.159 1.00 0.00 C ATOM 118 SG CYS A 11 3.918 0.100 -13.911 1.00 0.00 S ATOM 0 HA CYS A 11 4.383 -1.328 -11.234 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.170 1.346 -12.008 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.873 0.950 -11.886 1.00 0.00 H new ATOM 0 HG CYS A 11 4.210 1.148 -14.623 1.00 0.00 H new ATOM 124 N TRP A 12 2.159 0.264 -9.449 1.00 0.00 N ATOM 125 CA TRP A 12 1.861 0.775 -8.115 1.00 0.00 C ATOM 126 C TRP A 12 2.282 -0.224 -7.043 1.00 0.00 C ATOM 127 O TRP A 12 2.690 0.162 -5.949 1.00 0.00 O ATOM 128 CB TRP A 12 0.369 1.082 -7.986 1.00 0.00 C ATOM 129 CG TRP A 12 -0.495 0.204 -8.840 1.00 0.00 C ATOM 130 CD1 TRP A 12 -0.885 0.440 -10.127 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.075 -1.051 -8.467 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.674 -0.591 -10.576 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.805 -1.519 -9.577 1.00 0.00 C ATOM 134 CE3 TRP A 12 -1.048 -1.825 -7.303 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.501 -2.725 -9.555 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.739 -3.021 -7.283 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.457 -3.462 -8.403 1.00 0.00 C ATOM 0 H TRP A 12 1.352 0.213 -10.071 1.00 0.00 H new ATOM 0 HA TRP A 12 2.428 1.695 -7.970 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.071 0.969 -6.944 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.195 2.124 -8.256 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.613 1.310 -10.707 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.094 -0.655 -11.503 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.497 -1.494 -6.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.056 -3.066 -10.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.726 -3.627 -6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.986 -4.402 -8.356 1.00 0.00 H new ATOM 148 N ASN A 13 2.181 -1.509 -7.365 1.00 0.00 N ATOM 149 CA ASN A 13 2.551 -2.563 -6.428 1.00 0.00 C ATOM 150 C ASN A 13 3.933 -3.120 -6.754 1.00 0.00 C ATOM 151 O ASN A 13 4.078 -3.986 -7.618 1.00 0.00 O ATOM 152 CB ASN A 13 1.515 -3.689 -6.459 1.00 0.00 C ATOM 153 CG ASN A 13 1.381 -4.313 -7.834 1.00 0.00 C ATOM 154 OD1 ASN A 13 1.870 -3.771 -8.825 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.715 -5.461 -7.901 1.00 0.00 N ATOM 0 H ASN A 13 1.846 -1.846 -8.268 1.00 0.00 H new ATOM 0 HA ASN A 13 2.579 -2.132 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.797 -4.458 -5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.547 -3.298 -6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.593 -5.928 -8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.326 -5.875 -7.054 1.00 0.00 H new ATOM 162 N HIS A 14 4.947 -2.619 -6.056 1.00 0.00 N ATOM 163 CA HIS A 14 6.319 -3.067 -6.270 1.00 0.00 C ATOM 164 C HIS A 14 6.465 -4.548 -5.936 1.00 0.00 C ATOM 165 O HIS A 14 6.803 -5.358 -6.798 1.00 0.00 O ATOM 166 CB HIS A 14 7.285 -2.242 -5.420 1.00 0.00 C ATOM 167 CG HIS A 14 7.318 -0.791 -5.786 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.485 -0.108 -6.053 1.00 0.00 N ATOM 169 CD2 HIS A 14 6.316 0.108 -5.931 1.00 0.00 C ATOM 170 CE1 HIS A 14 8.201 1.149 -6.345 1.00 0.00 C ATOM 171 NE2 HIS A 14 6.891 1.306 -6.278 1.00 0.00 N ATOM 0 H HIS A 14 4.845 -1.903 -5.337 1.00 0.00 H new ATOM 0 HA HIS A 14 6.562 -2.925 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.004 -2.337 -4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.288 -2.656 -5.520 1.00 0.00 H new ATOM 0 HD1 HIS A 14 9.422 -0.510 -6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.261 -0.082 -5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.918 1.917 -6.596 1.00 0.00 H new ATOM 180 N GLY A 15 6.207 -4.895 -4.679 1.00 0.00 N ATOM 181 CA GLY A 15 6.316 -6.278 -4.253 1.00 0.00 C ATOM 182 C GLY A 15 7.119 -6.430 -2.977 1.00 0.00 C ATOM 183 O GLY A 15 7.049 -5.584 -2.087 1.00 0.00 O ATOM 0 H GLY A 15 5.924 -4.243 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.317 -6.688 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.784 -6.863 -5.045 1.00 0.00 H new ATOM 187 N ASN A 16 7.884 -7.514 -2.886 1.00 0.00 N ATOM 188 CA ASN A 16 8.702 -7.776 -1.708 1.00 0.00 C ATOM 189 C ASN A 16 9.738 -6.673 -1.509 1.00 0.00 C ATOM 190 O ASN A 16 10.851 -6.753 -2.029 1.00 0.00 O ATOM 191 CB ASN A 16 9.401 -9.131 -1.837 1.00 0.00 C ATOM 192 CG ASN A 16 8.453 -10.293 -1.615 1.00 0.00 C ATOM 193 OD1 ASN A 16 7.449 -10.432 -2.313 1.00 0.00 O ATOM 194 ND2 ASN A 16 8.769 -11.136 -0.639 1.00 0.00 N ATOM 0 H ASN A 16 7.954 -8.225 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 16 8.046 -7.795 -0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.847 -9.214 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.216 -9.187 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.169 -11.937 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.612 -10.982 -0.085 1.00 0.00 H new ATOM 201 N ILE A 17 9.364 -5.647 -0.753 1.00 0.00 N ATOM 202 CA ILE A 17 10.261 -4.530 -0.484 1.00 0.00 C ATOM 203 C ILE A 17 10.372 -4.261 1.013 1.00 0.00 C ATOM 204 O ILE A 17 9.474 -4.602 1.784 1.00 0.00 O ATOM 205 CB ILE A 17 9.788 -3.246 -1.191 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.335 -2.940 -0.823 1.00 0.00 C ATOM 207 CG2 ILE A 17 9.940 -3.384 -2.699 1.00 0.00 C ATOM 208 CD1 ILE A 17 7.923 -1.515 -1.121 1.00 0.00 C ATOM 0 H ILE A 17 8.446 -5.566 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 17 11.240 -4.811 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 17 10.410 -2.416 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.680 -3.620 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.188 -3.137 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.601 -2.468 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.987 -3.559 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.340 -4.224 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.881 -1.370 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.553 -0.828 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.037 -1.319 -2.187 1.00 0.00 H new ATOM 220 N THR A 18 11.478 -3.646 1.418 1.00 0.00 N ATOM 221 CA THR A 18 11.707 -3.331 2.822 1.00 0.00 C ATOM 222 C THR A 18 10.901 -2.109 3.249 1.00 0.00 C ATOM 223 O THR A 18 10.490 -1.302 2.415 1.00 0.00 O ATOM 224 CB THR A 18 13.199 -3.072 3.104 1.00 0.00 C ATOM 225 OG1 THR A 18 13.350 -2.391 4.355 1.00 0.00 O ATOM 226 CG2 THR A 18 13.825 -2.245 1.991 1.00 0.00 C ATOM 0 H THR A 18 12.230 -3.356 0.793 1.00 0.00 H new ATOM 0 HA THR A 18 11.382 -4.197 3.398 1.00 0.00 H new ATOM 0 HB THR A 18 13.710 -4.034 3.151 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.301 -2.232 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.879 -2.075 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.735 -2.780 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.311 -1.287 1.916 1.00 0.00 H new ATOM 234 N ARG A 19 10.681 -1.978 4.553 1.00 0.00 N ATOM 235 CA ARG A 19 9.924 -0.854 5.091 1.00 0.00 C ATOM 236 C ARG A 19 10.404 0.463 4.487 1.00 0.00 C ATOM 237 O ARG A 19 9.603 1.267 4.009 1.00 0.00 O ATOM 238 CB ARG A 19 10.053 -0.806 6.614 1.00 0.00 C ATOM 239 CG ARG A 19 9.424 0.427 7.241 1.00 0.00 C ATOM 240 CD ARG A 19 9.688 0.489 8.737 1.00 0.00 C ATOM 241 NE ARG A 19 8.981 1.598 9.373 1.00 0.00 N ATOM 242 CZ ARG A 19 9.348 2.136 10.531 1.00 0.00 C ATOM 243 NH1 ARG A 19 10.409 1.670 11.176 1.00 0.00 N ATOM 244 NH2 ARG A 19 8.654 3.143 11.045 1.00 0.00 N ATOM 0 H ARG A 19 11.016 -2.636 5.256 1.00 0.00 H new ATOM 0 HA ARG A 19 8.876 -0.995 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.587 -1.696 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.109 -0.841 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.822 1.322 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.349 0.420 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.380 -0.449 9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.759 0.594 8.912 1.00 0.00 H new ATOM 0 HE ARG A 19 8.161 1.980 8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.946 0.897 10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.688 2.085 12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.838 3.505 10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.936 3.556 11.934 1.00 0.00 H new ATOM 258 N SER A 20 11.715 0.677 4.514 1.00 0.00 N ATOM 259 CA SER A 20 12.302 1.898 3.974 1.00 0.00 C ATOM 260 C SER A 20 11.926 2.078 2.506 1.00 0.00 C ATOM 261 O SER A 20 11.222 3.021 2.144 1.00 0.00 O ATOM 262 CB SER A 20 13.824 1.867 4.122 1.00 0.00 C ATOM 263 OG SER A 20 14.382 0.768 3.422 1.00 0.00 O ATOM 0 H SER A 20 12.391 0.021 4.904 1.00 0.00 H new ATOM 0 HA SER A 20 11.907 2.742 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.248 2.797 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.089 1.802 5.177 1.00 0.00 H new ATOM 0 HG SER A 20 15.356 0.771 3.531 1.00 0.00 H new ATOM 269 N LYS A 21 12.401 1.166 1.665 1.00 0.00 N ATOM 270 CA LYS A 21 12.115 1.221 0.236 1.00 0.00 C ATOM 271 C LYS A 21 10.687 1.694 -0.016 1.00 0.00 C ATOM 272 O LYS A 21 10.425 2.427 -0.970 1.00 0.00 O ATOM 273 CB LYS A 21 12.327 -0.155 -0.401 1.00 0.00 C ATOM 274 CG LYS A 21 11.854 -0.238 -1.842 1.00 0.00 C ATOM 275 CD LYS A 21 12.935 0.213 -2.810 1.00 0.00 C ATOM 276 CE LYS A 21 12.844 1.705 -3.091 1.00 0.00 C ATOM 277 NZ LYS A 21 14.134 2.254 -3.593 1.00 0.00 N ATOM 0 H LYS A 21 12.986 0.380 1.948 1.00 0.00 H new ATOM 0 HA LYS A 21 12.801 1.935 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.387 -0.405 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.800 -0.904 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.563 -1.263 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.967 0.382 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.916 -0.021 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.842 -0.341 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.060 1.889 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.556 2.229 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.031 3.273 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.877 2.101 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.396 1.772 -4.476 1.00 0.00 H new ATOM 291 N ALA A 22 9.768 1.273 0.846 1.00 0.00 N ATOM 292 CA ALA A 22 8.368 1.657 0.719 1.00 0.00 C ATOM 293 C ALA A 22 8.184 3.151 0.965 1.00 0.00 C ATOM 294 O ALA A 22 7.566 3.849 0.162 1.00 0.00 O ATOM 295 CB ALA A 22 7.509 0.852 1.683 1.00 0.00 C ATOM 0 H ALA A 22 9.968 0.665 1.640 1.00 0.00 H new ATOM 0 HA ALA A 22 8.049 1.441 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.466 1.150 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.608 -0.210 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.837 1.039 2.706 1.00 0.00 H new ATOM 301 N GLU A 23 8.723 3.633 2.080 1.00 0.00 N ATOM 302 CA GLU A 23 8.616 5.044 2.431 1.00 0.00 C ATOM 303 C GLU A 23 9.462 5.903 1.496 1.00 0.00 C ATOM 304 O GLU A 23 8.959 6.836 0.870 1.00 0.00 O ATOM 305 CB GLU A 23 9.054 5.266 3.880 1.00 0.00 C ATOM 306 CG GLU A 23 8.253 4.459 4.889 1.00 0.00 C ATOM 307 CD GLU A 23 8.667 4.739 6.320 1.00 0.00 C ATOM 308 OE1 GLU A 23 9.724 4.224 6.743 1.00 0.00 O ATOM 309 OE2 GLU A 23 7.935 5.471 7.018 1.00 0.00 O ATOM 0 H GLU A 23 9.238 3.068 2.755 1.00 0.00 H new ATOM 0 HA GLU A 23 7.573 5.340 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.109 5.007 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.963 6.325 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.193 4.685 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.378 3.397 4.680 1.00 0.00 H new ATOM 316 N GLU A 24 10.749 5.581 1.407 1.00 0.00 N ATOM 317 CA GLU A 24 11.664 6.325 0.550 1.00 0.00 C ATOM 318 C GLU A 24 11.000 6.678 -0.778 1.00 0.00 C ATOM 319 O GLU A 24 11.084 7.815 -1.244 1.00 0.00 O ATOM 320 CB GLU A 24 12.935 5.511 0.296 1.00 0.00 C ATOM 321 CG GLU A 24 13.878 6.152 -0.708 1.00 0.00 C ATOM 322 CD GLU A 24 14.467 7.456 -0.206 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.468 7.406 0.540 1.00 0.00 O ATOM 324 OE2 GLU A 24 13.928 8.526 -0.558 1.00 0.00 O ATOM 0 H GLU A 24 11.181 4.811 1.917 1.00 0.00 H new ATOM 0 HA GLU A 24 11.929 7.250 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.462 5.373 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.656 4.520 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.686 5.457 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.342 6.335 -1.639 1.00 0.00 H new ATOM 331 N LEU A 25 10.342 5.696 -1.383 1.00 0.00 N ATOM 332 CA LEU A 25 9.663 5.901 -2.658 1.00 0.00 C ATOM 333 C LEU A 25 8.566 6.953 -2.528 1.00 0.00 C ATOM 334 O LEU A 25 8.329 7.735 -3.449 1.00 0.00 O ATOM 335 CB LEU A 25 9.066 4.585 -3.158 1.00 0.00 C ATOM 336 CG LEU A 25 10.051 3.592 -3.776 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.400 2.229 -3.946 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.564 4.111 -5.111 1.00 0.00 C ATOM 0 H LEU A 25 10.264 4.749 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 25 10.398 6.257 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.565 4.096 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.300 4.815 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 25 10.900 3.484 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.116 1.536 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.083 1.853 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.533 2.319 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.264 3.392 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.726 4.249 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.070 5.064 -4.960 1.00 0.00 H new ATOM 350 N LEU A 26 7.903 6.969 -1.377 1.00 0.00 N ATOM 351 CA LEU A 26 6.832 7.927 -1.124 1.00 0.00 C ATOM 352 C LEU A 26 7.396 9.327 -0.901 1.00 0.00 C ATOM 353 O LEU A 26 7.126 10.247 -1.673 1.00 0.00 O ATOM 354 CB LEU A 26 6.011 7.496 0.092 1.00 0.00 C ATOM 355 CG LEU A 26 4.933 6.442 -0.166 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.347 5.946 1.147 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.839 7.007 -1.061 1.00 0.00 C ATOM 0 H LEU A 26 8.088 6.330 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 26 6.185 7.951 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.694 7.110 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.533 8.380 0.515 1.00 0.00 H new ATOM 0 HG LEU A 26 5.393 5.596 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.582 5.197 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.137 5.503 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.902 6.782 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.080 6.244 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.382 7.870 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.270 7.313 -2.014 1.00 0.00 H new ATOM 369 N SER A 27 8.182 9.480 0.160 1.00 0.00 N ATOM 370 CA SER A 27 8.783 10.768 0.486 1.00 0.00 C ATOM 371 C SER A 27 9.348 11.437 -0.764 1.00 0.00 C ATOM 372 O SER A 27 9.074 12.606 -1.033 1.00 0.00 O ATOM 373 CB SER A 27 9.890 10.590 1.527 1.00 0.00 C ATOM 374 OG SER A 27 10.764 9.534 1.166 1.00 0.00 O ATOM 0 H SER A 27 8.417 8.728 0.808 1.00 0.00 H new ATOM 0 HA SER A 27 8.005 11.409 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.455 11.517 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.447 10.383 2.501 1.00 0.00 H new ATOM 0 HG SER A 27 11.463 9.441 1.846 1.00 0.00 H new ATOM 380 N ARG A 28 10.138 10.685 -1.523 1.00 0.00 N ATOM 381 CA ARG A 28 10.743 11.203 -2.744 1.00 0.00 C ATOM 382 C ARG A 28 9.729 12.006 -3.554 1.00 0.00 C ATOM 383 O ARG A 28 9.884 13.213 -3.742 1.00 0.00 O ATOM 384 CB ARG A 28 11.296 10.056 -3.592 1.00 0.00 C ATOM 385 CG ARG A 28 12.707 9.642 -3.209 1.00 0.00 C ATOM 386 CD ARG A 28 13.407 8.925 -4.354 1.00 0.00 C ATOM 387 NE ARG A 28 13.752 9.838 -5.441 1.00 0.00 N ATOM 388 CZ ARG A 28 14.723 10.741 -5.362 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.442 10.851 -4.254 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.977 11.535 -6.394 1.00 0.00 N ATOM 0 H ARG A 28 10.374 9.715 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 28 11.563 11.864 -2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.635 9.194 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.285 10.353 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.282 10.524 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.672 8.989 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.312 8.445 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.761 8.134 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 28 13.218 9.779 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.250 10.241 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.187 11.545 -4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.427 11.452 -7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.723 12.228 -6.333 1.00 0.00 H new ATOM 404 N THR A 29 8.691 11.327 -4.034 1.00 0.00 N ATOM 405 CA THR A 29 7.654 11.976 -4.825 1.00 0.00 C ATOM 406 C THR A 29 7.281 13.332 -4.237 1.00 0.00 C ATOM 407 O THR A 29 7.296 14.347 -4.933 1.00 0.00 O ATOM 408 CB THR A 29 6.388 11.103 -4.916 1.00 0.00 C ATOM 409 OG1 THR A 29 6.723 9.806 -5.421 1.00 0.00 O ATOM 410 CG2 THR A 29 5.347 11.751 -5.817 1.00 0.00 C ATOM 0 H THR A 29 8.547 10.328 -3.888 1.00 0.00 H new ATOM 0 HA THR A 29 8.062 12.117 -5.826 1.00 0.00 H new ATOM 0 HB THR A 29 5.968 11.005 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.913 9.257 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.462 11.116 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.073 12.726 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.759 11.876 -6.818 1.00 0.00 H new ATOM 418 N GLY A 30 6.947 13.343 -2.951 1.00 0.00 N ATOM 419 CA GLY A 30 6.575 14.581 -2.291 1.00 0.00 C ATOM 420 C GLY A 30 5.279 15.157 -2.826 1.00 0.00 C ATOM 421 O GLY A 30 5.167 16.365 -3.035 1.00 0.00 O ATOM 0 H GLY A 30 6.927 12.516 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.475 14.402 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.374 15.312 -2.419 1.00 0.00 H new ATOM 425 N LYS A 31 4.297 14.291 -3.051 1.00 0.00 N ATOM 426 CA LYS A 31 3.002 14.719 -3.566 1.00 0.00 C ATOM 427 C LYS A 31 1.892 14.420 -2.564 1.00 0.00 C ATOM 428 O LYS A 31 2.072 13.623 -1.643 1.00 0.00 O ATOM 429 CB LYS A 31 2.704 14.023 -4.896 1.00 0.00 C ATOM 430 CG LYS A 31 3.361 14.690 -6.092 1.00 0.00 C ATOM 431 CD LYS A 31 3.198 13.859 -7.354 1.00 0.00 C ATOM 432 CE LYS A 31 3.336 14.712 -8.605 1.00 0.00 C ATOM 433 NZ LYS A 31 3.863 13.928 -9.756 1.00 0.00 N ATOM 0 H LYS A 31 4.373 13.288 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 31 3.041 15.796 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.040 12.988 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.625 14.000 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.923 15.676 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.421 14.840 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.946 13.067 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.221 13.375 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.365 15.133 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.002 15.550 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.942 14.545 -10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.801 13.547 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.214 13.143 -9.967 1.00 0.00 H new ATOM 447 N ASP A 32 0.744 15.062 -2.750 1.00 0.00 N ATOM 448 CA ASP A 32 -0.396 14.863 -1.863 1.00 0.00 C ATOM 449 C ASP A 32 -1.381 13.863 -2.461 1.00 0.00 C ATOM 450 O ASP A 32 -2.581 14.126 -2.534 1.00 0.00 O ATOM 451 CB ASP A 32 -1.101 16.194 -1.596 1.00 0.00 C ATOM 452 CG ASP A 32 -1.294 17.011 -2.858 1.00 0.00 C ATOM 453 OD1 ASP A 32 -0.295 17.557 -3.371 1.00 0.00 O ATOM 454 OD2 ASP A 32 -2.445 17.103 -3.334 1.00 0.00 O ATOM 0 H ASP A 32 0.578 15.725 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.025 14.462 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.072 16.002 -1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.519 16.772 -0.878 1.00 0.00 H new ATOM 459 N GLY A 33 -0.865 12.715 -2.890 1.00 0.00 N ATOM 460 CA GLY A 33 -1.713 11.694 -3.478 1.00 0.00 C ATOM 461 C GLY A 33 -0.925 10.489 -3.951 1.00 0.00 C ATOM 462 O GLY A 33 -1.327 9.808 -4.894 1.00 0.00 O ATOM 0 H GLY A 33 0.125 12.474 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.454 11.375 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.260 12.120 -4.319 1.00 0.00 H new ATOM 466 N SER A 34 0.200 10.225 -3.295 1.00 0.00 N ATOM 467 CA SER A 34 1.049 9.096 -3.657 1.00 0.00 C ATOM 468 C SER A 34 0.619 7.833 -2.917 1.00 0.00 C ATOM 469 O SER A 34 0.221 7.886 -1.754 1.00 0.00 O ATOM 470 CB SER A 34 2.513 9.410 -3.343 1.00 0.00 C ATOM 471 OG SER A 34 2.903 10.647 -3.914 1.00 0.00 O ATOM 0 H SER A 34 0.545 10.777 -2.510 1.00 0.00 H new ATOM 0 HA SER A 34 0.943 8.923 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.658 9.443 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.150 8.612 -3.726 1.00 0.00 H new ATOM 0 HG SER A 34 3.784 10.903 -3.569 1.00 0.00 H new ATOM 477 N PHE A 35 0.701 6.697 -3.602 1.00 0.00 N ATOM 478 CA PHE A 35 0.319 5.419 -3.012 1.00 0.00 C ATOM 479 C PHE A 35 1.071 4.268 -3.674 1.00 0.00 C ATOM 480 O PHE A 35 1.653 4.427 -4.748 1.00 0.00 O ATOM 481 CB PHE A 35 -1.189 5.202 -3.146 1.00 0.00 C ATOM 482 CG PHE A 35 -1.601 4.663 -4.486 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.690 5.500 -5.586 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.899 3.319 -4.645 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.068 5.007 -6.821 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.277 2.821 -5.878 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.363 3.666 -6.967 1.00 0.00 C ATOM 0 H PHE A 35 1.029 6.635 -4.566 1.00 0.00 H new ATOM 0 HA PHE A 35 0.583 5.442 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.519 4.512 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.701 6.148 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.461 6.550 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.835 2.654 -3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.133 5.670 -7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.505 1.771 -5.990 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.660 3.279 -7.930 1.00 0.00 H new ATOM 497 N LEU A 36 1.055 3.108 -3.025 1.00 0.00 N ATOM 498 CA LEU A 36 1.735 1.929 -3.550 1.00 0.00 C ATOM 499 C LEU A 36 1.379 0.689 -2.737 1.00 0.00 C ATOM 500 O LEU A 36 0.695 0.777 -1.717 1.00 0.00 O ATOM 501 CB LEU A 36 3.250 2.142 -3.538 1.00 0.00 C ATOM 502 CG LEU A 36 3.940 1.979 -2.183 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.065 0.507 -1.822 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.309 2.644 -2.199 1.00 0.00 C ATOM 0 H LEU A 36 0.579 2.959 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 36 1.404 1.776 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.701 1.440 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.459 3.145 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 36 3.329 2.468 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.558 0.410 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.072 0.060 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.654 -0.005 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.786 2.518 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.928 2.184 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.195 3.707 -2.412 1.00 0.00 H new ATOM 516 N VAL A 37 1.848 -0.468 -3.196 1.00 0.00 N ATOM 517 CA VAL A 37 1.581 -1.726 -2.510 1.00 0.00 C ATOM 518 C VAL A 37 2.867 -2.514 -2.288 1.00 0.00 C ATOM 519 O VAL A 37 3.737 -2.561 -3.158 1.00 0.00 O ATOM 520 CB VAL A 37 0.588 -2.598 -3.302 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.358 -3.924 -2.593 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.725 -1.858 -3.505 1.00 0.00 C ATOM 0 H VAL A 37 2.414 -0.559 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 37 1.141 -1.473 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 37 1.016 -2.807 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.346 -4.526 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.304 -4.458 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.049 -3.739 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.415 -2.488 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.161 -1.617 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.542 -0.937 -4.059 1.00 0.00 H new ATOM 532 N ARG A 38 2.981 -3.133 -1.117 1.00 0.00 N ATOM 533 CA ARG A 38 4.162 -3.920 -0.780 1.00 0.00 C ATOM 534 C ARG A 38 3.773 -5.341 -0.384 1.00 0.00 C ATOM 535 O ARG A 38 2.721 -5.563 0.214 1.00 0.00 O ATOM 536 CB ARG A 38 4.936 -3.254 0.359 1.00 0.00 C ATOM 537 CG ARG A 38 4.121 -3.085 1.631 1.00 0.00 C ATOM 538 CD ARG A 38 4.921 -2.380 2.716 1.00 0.00 C ATOM 539 NE ARG A 38 4.383 -2.639 4.048 1.00 0.00 N ATOM 540 CZ ARG A 38 4.654 -3.734 4.750 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.451 -4.667 4.248 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.126 -3.898 5.956 1.00 0.00 N ATOM 0 H ARG A 38 2.270 -3.105 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 38 4.800 -3.970 -1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.822 -3.849 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.284 -2.276 0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.219 -2.513 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.800 -4.062 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.959 -2.710 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.920 -1.306 2.527 1.00 0.00 H new ATOM 0 HE ARG A 38 3.765 -1.941 4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.858 -4.545 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.657 -5.507 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.511 -3.183 6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.335 -4.739 6.494 1.00 0.00 H new ATOM 556 N ALA A 39 4.631 -6.299 -0.721 1.00 0.00 N ATOM 557 CA ALA A 39 4.378 -7.698 -0.399 1.00 0.00 C ATOM 558 C ALA A 39 4.726 -7.998 1.056 1.00 0.00 C ATOM 559 O ALA A 39 5.894 -8.174 1.401 1.00 0.00 O ATOM 560 CB ALA A 39 5.169 -8.605 -1.330 1.00 0.00 C ATOM 0 H ALA A 39 5.507 -6.132 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 39 3.314 -7.891 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.971 -9.647 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.870 -8.418 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.234 -8.401 -1.218 1.00 0.00 H new ATOM 566 N SER A 40 3.705 -8.053 1.904 1.00 0.00 N ATOM 567 CA SER A 40 3.903 -8.327 3.323 1.00 0.00 C ATOM 568 C SER A 40 4.425 -9.745 3.534 1.00 0.00 C ATOM 569 O SER A 40 3.657 -10.706 3.533 1.00 0.00 O ATOM 570 CB SER A 40 2.594 -8.134 4.089 1.00 0.00 C ATOM 571 OG SER A 40 2.457 -6.796 4.537 1.00 0.00 O ATOM 0 H SER A 40 2.732 -7.912 1.634 1.00 0.00 H new ATOM 0 HA SER A 40 4.645 -7.625 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.752 -8.394 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.565 -8.811 4.943 1.00 0.00 H new ATOM 0 HG SER A 40 1.611 -6.698 5.022 1.00 0.00 H new ATOM 657 N ALA A 46 -0.397 -11.880 1.503 1.00 0.00 N ATOM 658 CA ALA A 46 -0.813 -10.618 2.102 1.00 0.00 C ATOM 659 C ALA A 46 0.017 -9.456 1.565 1.00 0.00 C ATOM 660 O ALA A 46 1.222 -9.587 1.352 1.00 0.00 O ATOM 661 CB ALA A 46 -0.703 -10.691 3.617 1.00 0.00 C ATOM 0 HA ALA A 46 -1.854 -10.442 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.017 -9.742 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.344 -11.490 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.331 -10.894 3.897 1.00 0.00 H new ATOM 667 N TYR A 47 -0.636 -8.320 1.347 1.00 0.00 N ATOM 668 CA TYR A 47 0.041 -7.136 0.832 1.00 0.00 C ATOM 669 C TYR A 47 -0.158 -5.945 1.765 1.00 0.00 C ATOM 670 O TYR A 47 -0.755 -6.073 2.833 1.00 0.00 O ATOM 671 CB TYR A 47 -0.477 -6.794 -0.566 1.00 0.00 C ATOM 672 CG TYR A 47 0.054 -7.707 -1.649 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.607 -8.884 -1.979 1.00 0.00 C ATOM 674 CD2 TYR A 47 1.218 -7.393 -2.340 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.125 -9.721 -2.966 1.00 0.00 C ATOM 676 CE2 TYR A 47 1.706 -8.224 -3.330 1.00 0.00 C ATOM 677 CZ TYR A 47 1.032 -9.386 -3.639 1.00 0.00 C ATOM 678 OH TYR A 47 1.516 -10.217 -4.624 1.00 0.00 O ATOM 0 H TYR A 47 -1.633 -8.194 1.519 1.00 0.00 H new ATOM 0 HA TYR A 47 1.107 -7.355 0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.566 -6.843 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.205 -5.766 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.513 -9.149 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.750 -6.484 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.651 -10.632 -3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.611 -7.964 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 47 2.337 -9.836 -4.999 1.00 0.00 H new ATOM 688 N ALA A 48 0.347 -4.787 1.352 1.00 0.00 N ATOM 689 CA ALA A 48 0.223 -3.573 2.148 1.00 0.00 C ATOM 690 C ALA A 48 0.162 -2.336 1.257 1.00 0.00 C ATOM 691 O ALA A 48 1.158 -1.950 0.644 1.00 0.00 O ATOM 692 CB ALA A 48 1.382 -3.463 3.127 1.00 0.00 C ATOM 0 H ALA A 48 0.846 -4.665 0.471 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.709 -3.631 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.276 -2.551 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.379 -4.326 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.322 -3.432 2.576 1.00 0.00 H new ATOM 698 N LEU A 49 -1.013 -1.720 1.188 1.00 0.00 N ATOM 699 CA LEU A 49 -1.204 -0.526 0.371 1.00 0.00 C ATOM 700 C LEU A 49 -0.836 0.732 1.151 1.00 0.00 C ATOM 701 O LEU A 49 -1.571 1.160 2.041 1.00 0.00 O ATOM 702 CB LEU A 49 -2.654 -0.438 -0.106 1.00 0.00 C ATOM 703 CG LEU A 49 -3.097 0.916 -0.661 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.565 1.115 -2.072 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.614 1.031 -0.640 1.00 0.00 C ATOM 0 H LEU A 49 -1.848 -2.027 1.688 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.547 -0.599 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.808 -1.192 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.306 -0.697 0.728 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.684 1.700 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.891 2.084 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.476 1.078 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.947 0.326 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.911 2.001 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.047 0.239 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.972 0.935 0.385 1.00 0.00 H new ATOM 717 N CYS A 50 0.305 1.321 0.809 1.00 0.00 N ATOM 718 CA CYS A 50 0.770 2.532 1.476 1.00 0.00 C ATOM 719 C CYS A 50 0.263 3.777 0.757 1.00 0.00 C ATOM 720 O CYS A 50 0.134 3.791 -0.468 1.00 0.00 O ATOM 721 CB CYS A 50 2.298 2.550 1.538 1.00 0.00 C ATOM 722 SG CYS A 50 3.002 1.399 2.742 1.00 0.00 S ATOM 0 H CYS A 50 0.925 0.980 0.074 1.00 0.00 H new ATOM 0 HA CYS A 50 0.373 2.534 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.694 2.313 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.629 3.560 1.780 1.00 0.00 H new ATOM 0 HG CYS A 50 4.299 1.486 2.719 1.00 0.00 H new ATOM 728 N VAL A 51 -0.024 4.823 1.526 1.00 0.00 N ATOM 729 CA VAL A 51 -0.517 6.074 0.962 1.00 0.00 C ATOM 730 C VAL A 51 0.084 7.276 1.682 1.00 0.00 C ATOM 731 O VAL A 51 -0.136 7.470 2.878 1.00 0.00 O ATOM 732 CB VAL A 51 -2.053 6.157 1.040 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.535 7.538 0.620 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.690 5.076 0.180 1.00 0.00 C ATOM 0 H VAL A 51 0.076 4.829 2.541 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.212 6.092 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.356 5.991 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.623 7.578 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.106 8.290 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.222 7.736 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.775 5.150 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.381 5.207 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.371 4.095 0.533 1.00 0.00 H new ATOM 744 N LEU A 52 0.843 8.081 0.946 1.00 0.00 N ATOM 745 CA LEU A 52 1.476 9.266 1.514 1.00 0.00 C ATOM 746 C LEU A 52 0.514 10.449 1.516 1.00 0.00 C ATOM 747 O LEU A 52 -0.161 10.716 0.521 1.00 0.00 O ATOM 748 CB LEU A 52 2.738 9.621 0.726 1.00 0.00 C ATOM 749 CG LEU A 52 3.551 10.802 1.258 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.504 10.344 2.352 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.317 11.473 0.128 1.00 0.00 C ATOM 0 H LEU A 52 1.035 7.935 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 52 1.750 9.043 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.384 8.744 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.451 9.837 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 52 2.862 11.530 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.074 11.198 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.934 9.909 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.188 9.597 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.890 12.311 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.996 10.753 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.615 11.836 -0.622 1.00 0.00 H new ATOM 763 N TYR A 53 0.457 11.157 2.639 1.00 0.00 N ATOM 764 CA TYR A 53 -0.423 12.312 2.770 1.00 0.00 C ATOM 765 C TYR A 53 -0.090 13.110 4.027 1.00 0.00 C ATOM 766 O TYR A 53 -0.070 12.568 5.133 1.00 0.00 O ATOM 767 CB TYR A 53 -1.885 11.865 2.809 1.00 0.00 C ATOM 768 CG TYR A 53 -2.867 12.981 2.534 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.358 13.771 3.566 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.304 13.246 1.242 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.256 14.791 3.320 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.201 14.265 0.986 1.00 0.00 C ATOM 773 CZ TYR A 53 -4.674 15.034 2.028 1.00 0.00 C ATOM 774 OH TYR A 53 -5.568 16.050 1.778 1.00 0.00 O ATOM 0 H TYR A 53 1.010 10.951 3.471 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.270 12.953 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.034 11.073 2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.099 11.437 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.032 13.584 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.936 12.645 0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.629 15.395 4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.530 14.458 -0.024 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.758 16.089 0.817 1.00 0.00 H new ATOM 784 N ARG A 54 0.170 14.401 3.849 1.00 0.00 N ATOM 785 CA ARG A 54 0.503 15.275 4.968 1.00 0.00 C ATOM 786 C ARG A 54 1.712 14.743 5.732 1.00 0.00 C ATOM 787 O ARG A 54 1.704 14.682 6.961 1.00 0.00 O ATOM 788 CB ARG A 54 -0.693 15.407 5.912 1.00 0.00 C ATOM 789 CG ARG A 54 -1.941 15.957 5.242 1.00 0.00 C ATOM 790 CD ARG A 54 -1.973 17.477 5.285 1.00 0.00 C ATOM 791 NE ARG A 54 -1.318 18.072 4.123 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.898 18.192 2.934 1.00 0.00 C ATOM 793 NH1 ARG A 54 -3.139 17.762 2.752 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.237 18.745 1.925 1.00 0.00 N ATOM 0 H ARG A 54 0.157 14.865 2.941 1.00 0.00 H new ATOM 0 HA ARG A 54 0.752 16.258 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.920 14.429 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.420 16.059 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.977 15.620 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.827 15.559 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.008 17.816 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.483 17.824 6.195 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.363 18.414 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.650 17.338 3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.582 17.855 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.283 19.078 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.683 18.837 1.012 1.00 0.00 H new ATOM 808 N ASN A 55 2.750 14.360 4.995 1.00 0.00 N ATOM 809 CA ASN A 55 3.966 13.833 5.603 1.00 0.00 C ATOM 810 C ASN A 55 3.655 12.623 6.480 1.00 0.00 C ATOM 811 O ASN A 55 4.265 12.434 7.534 1.00 0.00 O ATOM 812 CB ASN A 55 4.656 14.916 6.435 1.00 0.00 C ATOM 813 CG ASN A 55 5.382 15.931 5.574 1.00 0.00 C ATOM 814 OD1 ASN A 55 5.658 15.682 4.400 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.694 17.084 6.154 1.00 0.00 N ATOM 0 H ASN A 55 2.773 14.405 3.976 1.00 0.00 H new ATOM 0 HA ASN A 55 4.635 13.517 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.914 15.428 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.366 14.449 7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.182 17.806 5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.446 17.248 7.130 1.00 0.00 H new ATOM 822 N CYS A 56 2.704 11.808 6.039 1.00 0.00 N ATOM 823 CA CYS A 56 2.312 10.616 6.783 1.00 0.00 C ATOM 824 C CYS A 56 2.074 9.441 5.841 1.00 0.00 C ATOM 825 O CYS A 56 1.308 9.543 4.883 1.00 0.00 O ATOM 826 CB CYS A 56 1.049 10.893 7.601 1.00 0.00 C ATOM 827 SG CYS A 56 0.895 9.875 9.087 1.00 0.00 S ATOM 0 H CYS A 56 2.190 11.950 5.170 1.00 0.00 H new ATOM 0 HA CYS A 56 3.126 10.356 7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.040 11.944 7.891 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.176 10.729 6.969 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.202 10.183 9.713 1.00 0.00 H new ATOM 833 N VAL A 57 2.739 8.323 6.118 1.00 0.00 N ATOM 834 CA VAL A 57 2.601 7.127 5.296 1.00 0.00 C ATOM 835 C VAL A 57 1.569 6.172 5.884 1.00 0.00 C ATOM 836 O VAL A 57 1.852 5.446 6.837 1.00 0.00 O ATOM 837 CB VAL A 57 3.945 6.388 5.150 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.749 5.062 4.431 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.954 7.258 4.416 1.00 0.00 C ATOM 0 H VAL A 57 3.379 8.221 6.906 1.00 0.00 H new ATOM 0 HA VAL A 57 2.267 7.456 4.312 1.00 0.00 H new ATOM 0 HB VAL A 57 4.336 6.180 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.709 4.554 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.062 4.437 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.336 5.244 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.898 6.720 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.573 7.499 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.116 8.179 4.976 1.00 0.00 H new ATOM 849 N TYR A 58 0.371 6.177 5.309 1.00 0.00 N ATOM 850 CA TYR A 58 -0.705 5.311 5.777 1.00 0.00 C ATOM 851 C TYR A 58 -0.571 3.910 5.190 1.00 0.00 C ATOM 852 O TYR A 58 -0.913 3.673 4.031 1.00 0.00 O ATOM 853 CB TYR A 58 -2.064 5.905 5.404 1.00 0.00 C ATOM 854 CG TYR A 58 -2.325 7.258 6.027 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.676 8.396 5.561 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.219 7.400 7.081 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.911 9.634 6.127 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.461 8.634 7.652 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.804 9.748 7.172 1.00 0.00 C ATOM 860 OH TYR A 58 -3.041 10.979 7.739 1.00 0.00 O ATOM 0 H TYR A 58 0.121 6.771 4.518 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.633 5.238 6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.126 5.996 4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.850 5.215 5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.976 8.311 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.734 6.530 7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.398 10.508 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.161 8.726 8.470 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.696 10.886 8.462 1.00 0.00 H new ATOM 870 N THR A 59 -0.071 2.981 6.000 1.00 0.00 N ATOM 871 CA THR A 59 0.108 1.602 5.562 1.00 0.00 C ATOM 872 C THR A 59 -1.150 0.778 5.811 1.00 0.00 C ATOM 873 O THR A 59 -1.543 0.558 6.956 1.00 0.00 O ATOM 874 CB THR A 59 1.296 0.935 6.282 1.00 0.00 C ATOM 875 OG1 THR A 59 2.476 1.730 6.119 1.00 0.00 O ATOM 876 CG2 THR A 59 1.541 -0.464 5.738 1.00 0.00 C ATOM 0 H THR A 59 0.217 3.159 6.962 1.00 0.00 H new ATOM 0 HA THR A 59 0.312 1.634 4.492 1.00 0.00 H new ATOM 0 HB THR A 59 1.054 0.858 7.342 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.757 1.710 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.384 -0.915 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.651 -1.074 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.764 -0.406 4.673 1.00 0.00 H new ATOM 884 N TYR A 60 -1.777 0.325 4.731 1.00 0.00 N ATOM 885 CA TYR A 60 -2.992 -0.474 4.832 1.00 0.00 C ATOM 886 C TYR A 60 -2.690 -1.955 4.621 1.00 0.00 C ATOM 887 O TYR A 60 -2.315 -2.373 3.525 1.00 0.00 O ATOM 888 CB TYR A 60 -4.025 -0.002 3.808 1.00 0.00 C ATOM 889 CG TYR A 60 -4.663 1.323 4.159 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.598 1.417 5.183 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.331 2.481 3.467 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.184 2.625 5.506 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.912 3.694 3.784 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.838 3.761 4.804 1.00 0.00 C ATOM 895 OH TYR A 60 -6.419 4.967 5.124 1.00 0.00 O ATOM 0 H TYR A 60 -1.464 0.498 3.776 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.399 -0.344 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.545 0.082 2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.805 -0.758 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.871 0.530 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.606 2.432 2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.909 2.680 6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.642 4.585 3.236 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.066 5.667 4.536 1.00 0.00 H new ATOM 905 N ARG A 61 -2.857 -2.743 5.678 1.00 0.00 N ATOM 906 CA ARG A 61 -2.602 -4.177 5.609 1.00 0.00 C ATOM 907 C ARG A 61 -3.699 -4.887 4.822 1.00 0.00 C ATOM 908 O ARG A 61 -4.883 -4.758 5.133 1.00 0.00 O ATOM 909 CB ARG A 61 -2.507 -4.767 7.018 1.00 0.00 C ATOM 910 CG ARG A 61 -1.103 -4.732 7.599 1.00 0.00 C ATOM 911 CD ARG A 61 -0.318 -5.983 7.236 1.00 0.00 C ATOM 912 NE ARG A 61 0.976 -6.032 7.911 1.00 0.00 N ATOM 913 CZ ARG A 61 1.131 -6.403 9.177 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.078 -6.755 9.902 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.341 -6.422 9.721 1.00 0.00 N ATOM 0 H ARG A 61 -3.168 -2.413 6.592 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.653 -4.328 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.178 -4.218 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.856 -5.799 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.577 -3.851 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.159 -4.638 8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.899 -6.866 7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.166 -6.015 6.157 1.00 0.00 H new ATOM 0 HE ARG A 61 1.806 -5.767 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.854 -6.741 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.200 -7.039 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.154 -6.151 9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.459 -6.707 10.693 1.00 0.00 H new ATOM 929 N ILE A 62 -3.296 -5.637 3.801 1.00 0.00 N ATOM 930 CA ILE A 62 -4.244 -6.367 2.969 1.00 0.00 C ATOM 931 C ILE A 62 -4.102 -7.873 3.166 1.00 0.00 C ATOM 932 O ILE A 62 -3.200 -8.500 2.610 1.00 0.00 O ATOM 933 CB ILE A 62 -4.056 -6.036 1.477 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.125 -4.524 1.255 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.109 -6.748 0.640 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.291 -4.045 0.088 1.00 0.00 C ATOM 0 H ILE A 62 -2.320 -5.755 3.531 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.241 -6.054 3.279 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.072 -6.386 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.163 -4.236 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.793 -4.017 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.963 -6.504 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.017 -7.825 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.102 -6.425 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.388 -2.964 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.245 -4.301 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.637 -4.524 -0.828 1.00 0.00 H new ATOM 948 N LEU A 63 -4.999 -8.447 3.960 1.00 0.00 N ATOM 949 CA LEU A 63 -4.975 -9.881 4.229 1.00 0.00 C ATOM 950 C LEU A 63 -5.881 -10.632 3.259 1.00 0.00 C ATOM 951 O LEU A 63 -6.889 -10.111 2.782 1.00 0.00 O ATOM 952 CB LEU A 63 -5.412 -10.156 5.669 1.00 0.00 C ATOM 953 CG LEU A 63 -4.514 -9.580 6.765 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.639 -10.397 8.041 1.00 0.00 C ATOM 955 CD2 LEU A 63 -3.066 -9.533 6.298 1.00 0.00 C ATOM 0 H LEU A 63 -5.751 -7.942 4.429 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.953 -10.235 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.418 -9.758 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.475 -11.235 5.809 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.839 -8.562 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.993 -9.973 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.673 -10.378 8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.341 -11.427 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.441 -9.120 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.728 -10.541 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.990 -8.904 5.411 1.00 0.00 H new ATOM 967 N PRO A 64 -5.515 -11.888 2.959 1.00 0.00 N ATOM 968 CA PRO A 64 -6.282 -12.739 2.045 1.00 0.00 C ATOM 969 C PRO A 64 -7.621 -13.166 2.637 1.00 0.00 C ATOM 970 O PRO A 64 -7.681 -13.688 3.749 1.00 0.00 O ATOM 971 CB PRO A 64 -5.374 -13.955 1.846 1.00 0.00 C ATOM 972 CG PRO A 64 -4.531 -14.003 3.073 1.00 0.00 C ATOM 973 CD PRO A 64 -4.325 -12.573 3.490 1.00 0.00 C ATOM 0 HA PRO A 64 -6.532 -12.221 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.956 -14.869 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.763 -13.850 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.022 -14.573 3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.578 -14.492 2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.256 -12.476 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.405 -12.162 3.074 1.00 0.00 H new ATOM 981 N ASN A 65 -8.694 -12.940 1.885 1.00 0.00 N ATOM 982 CA ASN A 65 -10.033 -13.301 2.336 1.00 0.00 C ATOM 983 C ASN A 65 -10.532 -14.550 1.615 1.00 0.00 C ATOM 984 O ASN A 65 -9.877 -15.054 0.703 1.00 0.00 O ATOM 985 CB ASN A 65 -11.003 -12.142 2.102 1.00 0.00 C ATOM 986 CG ASN A 65 -12.334 -12.352 2.797 1.00 0.00 C ATOM 987 OD1 ASN A 65 -12.548 -11.874 3.911 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.237 -13.072 2.140 1.00 0.00 N ATOM 0 H ASN A 65 -8.662 -12.509 0.961 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.984 -13.515 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.552 -11.216 2.460 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.170 -12.022 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.151 -13.248 2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.016 -13.449 1.218 1.00 0.00 H new ATOM 995 N GLU A 66 -11.694 -15.043 2.030 1.00 0.00 N ATOM 996 CA GLU A 66 -12.280 -16.232 1.423 1.00 0.00 C ATOM 997 C GLU A 66 -12.034 -16.252 -0.082 1.00 0.00 C ATOM 998 O GLU A 66 -11.826 -15.208 -0.702 1.00 0.00 O ATOM 999 CB GLU A 66 -13.782 -16.289 1.706 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.127 -16.202 3.184 1.00 0.00 C ATOM 1001 CD GLU A 66 -15.550 -16.637 3.477 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -15.838 -17.846 3.352 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -16.375 -15.770 3.831 1.00 0.00 O ATOM 0 H GLU A 66 -12.248 -14.638 2.784 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.801 -17.107 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.274 -15.472 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.184 -17.218 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.436 -16.825 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.987 -15.177 3.526 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.058 -17.446 -0.664 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.838 -17.603 -2.097 1.00 0.00 C ATOM 1012 C ASP A 67 -10.517 -16.965 -2.517 1.00 0.00 C ATOM 1013 O ASP A 67 -10.382 -16.475 -3.638 1.00 0.00 O ATOM 1014 CB ASP A 67 -12.992 -16.979 -2.883 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.347 -17.464 -2.405 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -14.729 -17.127 -1.265 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.025 -18.179 -3.171 1.00 0.00 O ATOM 0 H ASP A 67 -12.228 -18.319 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.793 -18.669 -2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.945 -15.894 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.877 -17.215 -3.941 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.546 -16.975 -1.610 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.236 -16.398 -1.887 1.00 0.00 C ATOM 1024 C ASP A 68 -8.373 -15.004 -2.491 1.00 0.00 C ATOM 1025 O ASP A 68 -7.614 -14.626 -3.385 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.446 -17.303 -2.833 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.234 -18.692 -2.264 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.820 -18.796 -1.090 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.483 -19.676 -2.991 1.00 0.00 O ATOM 0 H ASP A 68 -9.642 -17.376 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.696 -16.314 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.974 -17.380 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.478 -16.848 -3.042 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.345 -14.244 -1.999 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.582 -12.892 -2.490 1.00 0.00 C ATOM 1036 C LYS A 69 -8.688 -11.887 -1.771 1.00 0.00 C ATOM 1037 O LYS A 69 -8.040 -12.218 -0.777 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.052 -12.509 -2.301 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.017 -13.416 -3.044 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.225 -12.955 -4.477 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.793 -14.068 -5.344 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.229 -14.326 -5.045 1.00 0.00 N ATOM 0 H LYS A 69 -9.982 -14.542 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.341 -12.871 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.291 -12.532 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.198 -11.483 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.634 -14.436 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.975 -13.434 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.902 -12.100 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.276 -12.617 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.683 -13.801 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.219 -14.981 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.579 -15.091 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.331 -14.605 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.781 -13.462 -5.221 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.657 -10.660 -2.279 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.842 -9.607 -1.684 1.00 0.00 C ATOM 1058 C PHE A 70 -8.711 -8.438 -1.228 1.00 0.00 C ATOM 1059 O PHE A 70 -9.489 -7.887 -2.007 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.794 -9.117 -2.686 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.762 -10.153 -3.029 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -6.077 -11.214 -3.863 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -4.477 -10.067 -2.516 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -5.130 -12.169 -4.181 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -3.526 -11.019 -2.831 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.853 -12.072 -3.663 1.00 0.00 C ATOM 0 H PHE A 70 -9.187 -10.370 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.336 -10.022 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.297 -8.800 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.294 -8.239 -2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.074 -11.296 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.216 -9.247 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.388 -12.990 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.528 -10.940 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.112 -12.818 -3.908 1.00 0.00 H new ATOM 1076 N THR A 71 -8.573 -8.065 0.041 1.00 0.00 N ATOM 1077 CA THR A 71 -9.345 -6.965 0.602 1.00 0.00 C ATOM 1078 C THR A 71 -8.556 -6.235 1.683 1.00 0.00 C ATOM 1079 O THR A 71 -7.644 -6.798 2.288 1.00 0.00 O ATOM 1080 CB THR A 71 -10.676 -7.460 1.200 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.275 -6.424 1.986 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.456 -8.694 2.061 1.00 0.00 C ATOM 0 H THR A 71 -7.933 -8.510 0.699 1.00 0.00 H new ATOM 0 HA THR A 71 -9.556 -6.277 -0.217 1.00 0.00 H new ATOM 0 HB THR A 71 -11.343 -7.724 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.185 -6.254 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.409 -9.025 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.027 -9.490 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.774 -8.452 2.876 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.914 -4.977 1.923 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.240 -4.170 2.933 1.00 0.00 C ATOM 1092 C VAL A 72 -8.894 -4.341 4.299 1.00 0.00 C ATOM 1093 O VAL A 72 -10.113 -4.241 4.431 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.249 -2.677 2.556 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.562 -1.850 3.632 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.584 -2.465 1.204 1.00 0.00 C ATOM 0 H VAL A 72 -9.667 -4.495 1.432 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.209 -4.519 2.980 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.285 -2.345 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.578 -0.798 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.086 -1.978 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.529 -2.181 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.599 -1.404 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.552 -2.813 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.124 -3.026 0.441 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.075 -4.600 5.313 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.574 -4.786 6.670 1.00 0.00 C ATOM 1108 C GLN A 73 -8.507 -3.482 7.458 1.00 0.00 C ATOM 1109 O GLN A 73 -7.879 -3.415 8.514 1.00 0.00 O ATOM 1110 CB GLN A 73 -7.770 -5.872 7.388 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.070 -7.278 6.895 1.00 0.00 C ATOM 1112 CD GLN A 73 -7.785 -8.337 7.941 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -6.630 -8.600 8.276 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -8.840 -8.952 8.464 1.00 0.00 N ATOM 0 H GLN A 73 -7.063 -4.686 5.220 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.616 -5.098 6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.707 -5.670 7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.977 -5.819 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.117 -7.339 6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.474 -7.482 6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.780 -8.702 8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.710 -9.674 9.173 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.159 -2.447 6.938 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.174 -1.146 7.593 1.00 0.00 C ATOM 1125 C ALA A 74 -10.132 -1.140 8.780 1.00 0.00 C ATOM 1126 O ALA A 74 -11.267 -1.604 8.676 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.556 -0.059 6.599 1.00 0.00 C ATOM 0 H ALA A 74 -9.684 -2.485 6.064 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.171 -0.944 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.563 0.908 7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.831 -0.039 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.548 -0.266 6.197 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.249 -5.266 1.079 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.350 -5.675 -0.317 1.00 0.00 C ATOM 1212 C ARG A 81 -14.319 -6.751 -0.644 1.00 0.00 C ATOM 1213 O ARG A 81 -13.422 -7.028 0.152 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.154 -4.470 -1.239 1.00 0.00 C ATOM 1215 CG ARG A 81 -16.445 -3.737 -1.566 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.150 -4.358 -2.762 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.595 -4.148 -2.715 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.468 -4.897 -3.379 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -19.046 -5.900 -4.136 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.767 -4.643 -3.286 1.00 0.00 N ATOM 0 HA ARG A 81 -16.346 -6.089 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.459 -3.773 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.691 -4.805 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.107 -3.759 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.227 -2.689 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.751 -3.929 -3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.940 -5.427 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.953 -3.385 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.048 -6.098 -4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.719 -6.473 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.096 -3.872 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.437 -5.219 -3.796 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.455 -7.355 -1.819 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.536 -8.403 -2.251 1.00 0.00 C ATOM 1236 C PHE A 82 -13.210 -8.262 -3.735 1.00 0.00 C ATOM 1237 O PHE A 82 -14.066 -7.890 -4.538 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.139 -9.783 -1.979 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.604 -9.964 -0.562 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -13.733 -9.771 0.498 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -15.913 -10.329 -0.291 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -14.158 -9.937 1.802 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.344 -10.496 1.012 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.465 -10.301 2.060 1.00 0.00 C ATOM 0 H PHE A 82 -15.192 -7.138 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.612 -8.299 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.981 -9.942 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.397 -10.547 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.709 -9.487 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.604 -10.485 -1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.469 -9.782 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.367 -10.779 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.799 -10.433 3.078 1.00 0.00 H new ATOM 1254 N PHE A 83 -11.965 -8.562 -4.092 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.524 -8.468 -5.479 1.00 0.00 C ATOM 1256 C PHE A 83 -10.490 -9.545 -5.794 1.00 0.00 C ATOM 1257 O PHE A 83 -9.389 -9.547 -5.242 1.00 0.00 O ATOM 1258 CB PHE A 83 -10.935 -7.083 -5.756 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.728 -5.962 -5.147 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.462 -5.527 -3.859 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.741 -5.344 -5.864 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.190 -4.495 -3.297 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.471 -4.311 -5.307 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.197 -3.887 -4.021 1.00 0.00 C ATOM 0 H PHE A 83 -11.244 -8.872 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.391 -8.622 -6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -9.916 -7.047 -5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -10.875 -6.931 -6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -10.677 -6.000 -3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.962 -5.673 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -11.972 -4.164 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.255 -3.835 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.769 -3.082 -3.583 1.00 0.00 H new ATOM 1274 N THR A 84 -10.852 -10.461 -6.688 1.00 0.00 N ATOM 1275 CA THR A 84 -9.958 -11.544 -7.077 1.00 0.00 C ATOM 1276 C THR A 84 -8.651 -11.002 -7.643 1.00 0.00 C ATOM 1277 O THR A 84 -7.613 -11.661 -7.576 1.00 0.00 O ATOM 1278 CB THR A 84 -10.614 -12.465 -8.122 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.782 -13.606 -8.362 1.00 0.00 O ATOM 1280 CG2 THR A 84 -10.850 -11.721 -9.428 1.00 0.00 C ATOM 0 H THR A 84 -11.758 -10.474 -7.156 1.00 0.00 H new ATOM 0 HA THR A 84 -9.749 -12.120 -6.176 1.00 0.00 H new ATOM 0 HB THR A 84 -11.576 -12.793 -7.730 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.207 -14.187 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.314 -12.392 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.508 -10.870 -9.248 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.898 -11.366 -9.822 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.707 -9.797 -8.199 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.527 -9.164 -8.776 1.00 0.00 C ATOM 1290 C LYS A 85 -7.065 -7.991 -7.917 1.00 0.00 C ATOM 1291 O LYS A 85 -7.882 -7.247 -7.372 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.824 -8.683 -10.198 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.398 -9.764 -11.098 1.00 0.00 C ATOM 1294 CD LYS A 85 -8.364 -9.348 -12.559 1.00 0.00 C ATOM 1295 CE LYS A 85 -9.475 -10.018 -13.354 1.00 0.00 C ATOM 1296 NZ LYS A 85 -9.121 -11.413 -13.734 1.00 0.00 N ATOM 0 H LYS A 85 -9.558 -9.238 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.728 -9.904 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.526 -7.850 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.905 -8.301 -10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.831 -10.686 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.425 -9.977 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.464 -8.265 -12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.398 -9.609 -12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.391 -10.024 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.679 -9.437 -14.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.903 -11.835 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.261 -11.406 -14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.951 -11.974 -12.875 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.751 -7.829 -7.803 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.180 -6.744 -7.012 1.00 0.00 C ATOM 1312 C LEU A 86 -5.545 -5.387 -7.604 1.00 0.00 C ATOM 1313 O LEU A 86 -6.043 -4.506 -6.903 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.659 -6.888 -6.936 1.00 0.00 C ATOM 1315 CG LEU A 86 -2.990 -6.297 -5.695 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.680 -5.007 -5.280 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.002 -7.302 -4.553 1.00 0.00 C ATOM 0 H LEU A 86 -5.061 -8.435 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.595 -6.804 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.412 -7.948 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.225 -6.416 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.953 -6.068 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.190 -4.601 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.618 -4.284 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.727 -5.211 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.522 -6.864 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.032 -7.563 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.461 -8.200 -4.853 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.296 -5.227 -8.899 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.602 -3.978 -9.588 1.00 0.00 C ATOM 1331 C ASP A 87 -7.065 -3.594 -9.392 1.00 0.00 C ATOM 1332 O ASP A 87 -7.377 -2.450 -9.064 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.290 -4.104 -11.080 1.00 0.00 C ATOM 1334 CG ASP A 87 -4.086 -4.986 -11.347 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -3.344 -5.284 -10.388 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -3.886 -5.378 -12.515 1.00 0.00 O ATOM 0 H ASP A 87 -4.883 -5.946 -9.493 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.979 -3.193 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.158 -4.513 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.110 -3.113 -11.496 1.00 0.00 H new ATOM 1341 N GLN A 88 -7.958 -4.557 -9.598 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.388 -4.319 -9.446 1.00 0.00 C ATOM 1343 C GLN A 88 -9.690 -3.657 -8.106 1.00 0.00 C ATOM 1344 O GLN A 88 -10.665 -2.917 -7.973 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.161 -5.633 -9.565 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.419 -6.060 -11.002 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.662 -6.916 -11.142 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.185 -7.437 -10.157 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.141 -7.067 -12.371 1.00 0.00 N ATOM 0 H GLN A 88 -7.716 -5.510 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.705 -3.646 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.604 -6.420 -9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.115 -5.532 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.521 -5.173 -11.628 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.557 -6.615 -11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.675 -6.617 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.975 -7.633 -12.527 1.00 0.00 H new ATOM 1358 N LEU A 89 -8.848 -3.928 -7.115 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.025 -3.359 -5.783 1.00 0.00 C ATOM 1360 C LEU A 89 -8.473 -1.939 -5.720 1.00 0.00 C ATOM 1361 O LEU A 89 -8.956 -1.108 -4.950 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.332 -4.235 -4.737 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.186 -3.625 -3.342 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.231 -4.710 -2.278 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -6.893 -2.829 -3.241 1.00 0.00 C ATOM 0 H LEU A 89 -8.036 -4.538 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.093 -3.323 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.888 -5.168 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.339 -4.490 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.021 -2.945 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.126 -4.257 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.184 -5.237 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.416 -5.415 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.806 -2.402 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.045 -3.487 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.901 -2.027 -3.979 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.460 -1.667 -6.536 1.00 0.00 N ATOM 1378 CA ILE A 90 -6.845 -0.346 -6.575 1.00 0.00 C ATOM 1379 C ILE A 90 -7.780 0.678 -7.209 1.00 0.00 C ATOM 1380 O ILE A 90 -7.807 1.840 -6.807 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.518 -0.366 -7.357 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.538 -1.351 -6.717 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -4.915 1.030 -7.412 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.075 -0.933 -5.339 1.00 0.00 C ATOM 0 H ILE A 90 -7.048 -2.344 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.645 -0.061 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.719 -0.694 -8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.011 -2.331 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.669 -1.460 -7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.978 1.000 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.610 1.707 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.725 1.384 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.383 -1.678 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.573 0.032 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.936 -0.852 -4.675 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.548 0.236 -8.201 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.486 1.114 -8.889 1.00 0.00 C ATOM 1398 C GLU A 91 -10.710 1.391 -8.021 1.00 0.00 C ATOM 1399 O GLU A 91 -11.290 2.476 -8.073 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.920 0.492 -10.218 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.840 0.522 -11.286 1.00 0.00 C ATOM 1402 CD GLU A 91 -7.741 -0.491 -11.032 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -7.892 -1.653 -11.463 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -6.728 -0.121 -10.401 1.00 0.00 O ATOM 0 H GLU A 91 -8.538 -0.724 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.981 2.059 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.219 -0.542 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.799 1.021 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.291 0.327 -12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.405 1.521 -11.330 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.097 0.402 -7.222 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.253 0.537 -6.343 1.00 0.00 C ATOM 1413 C PHE A 92 -11.966 1.525 -5.216 1.00 0.00 C ATOM 1414 O PHE A 92 -12.883 2.117 -4.647 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.637 -0.823 -5.758 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.672 -0.738 -4.673 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -13.295 -0.581 -3.349 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -15.021 -0.815 -4.976 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -14.245 -0.504 -2.348 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -15.976 -0.738 -3.980 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.587 -0.581 -2.664 1.00 0.00 C ATOM 0 H PHE A 92 -10.627 -0.502 -7.165 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.085 0.918 -6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.013 -1.461 -6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.743 -1.304 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -12.247 -0.518 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.331 -0.937 -6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -13.938 -0.384 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -17.025 -0.800 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.331 -0.519 -1.884 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.687 1.698 -4.900 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.279 2.611 -3.840 1.00 0.00 C ATOM 1433 C TYR A 93 -9.817 3.945 -4.418 1.00 0.00 C ATOM 1434 O TYR A 93 -8.975 4.630 -3.836 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.158 1.989 -3.006 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.656 1.156 -1.846 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.028 -0.170 -2.027 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.754 1.695 -0.569 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.485 -0.934 -0.971 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.208 0.938 0.493 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.573 -0.376 0.287 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.026 -1.134 1.342 1.00 0.00 O ATOM 0 H TYR A 93 -9.916 1.218 -5.363 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.142 2.792 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.540 1.365 -3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.518 2.784 -2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.959 -0.611 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.470 2.724 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.772 -1.963 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.277 1.372 1.479 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.026 -0.592 2.158 1.00 0.00 H new ATOM 1452 N LYS A 94 -10.375 4.309 -5.568 1.00 0.00 N ATOM 1453 CA LYS A 94 -10.024 5.562 -6.226 1.00 0.00 C ATOM 1454 C LYS A 94 -11.077 6.632 -5.956 1.00 0.00 C ATOM 1455 O LYS A 94 -10.935 7.779 -6.381 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.878 5.345 -7.734 1.00 0.00 C ATOM 1457 CG LYS A 94 -8.478 4.933 -8.156 1.00 0.00 C ATOM 1458 CD LYS A 94 -8.285 5.070 -9.657 1.00 0.00 C ATOM 1459 CE LYS A 94 -7.069 4.292 -10.136 1.00 0.00 C ATOM 1460 NZ LYS A 94 -7.101 4.063 -11.607 1.00 0.00 N ATOM 0 H LYS A 94 -11.072 3.754 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.072 5.903 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.585 4.579 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.149 6.264 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.744 5.549 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.296 3.901 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.175 4.710 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.170 6.123 -9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.162 4.837 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.025 3.333 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.291 3.472 -11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.986 3.580 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.048 4.976 -12.102 1.00 0.00 H new ATOM 1474 N LYS A 95 -12.132 6.251 -5.244 1.00 0.00 N ATOM 1475 CA LYS A 95 -13.208 7.178 -4.914 1.00 0.00 C ATOM 1476 C LYS A 95 -12.803 8.093 -3.762 1.00 0.00 C ATOM 1477 O LYS A 95 -12.581 7.634 -2.642 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.477 6.408 -4.544 1.00 0.00 C ATOM 1479 CG LYS A 95 -15.719 7.279 -4.474 1.00 0.00 C ATOM 1480 CD LYS A 95 -16.282 7.561 -5.857 1.00 0.00 C ATOM 1481 CE LYS A 95 -17.145 6.411 -6.353 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.963 6.801 -7.534 1.00 0.00 N ATOM 0 H LYS A 95 -12.265 5.306 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 95 -13.406 7.793 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.639 5.618 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.329 5.923 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.477 6.785 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.477 8.220 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.874 8.476 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.463 7.731 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.508 5.566 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.802 6.078 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.537 5.990 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.589 7.591 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.335 7.095 -8.309 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.679 6.256 1.048 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.629 6.402 2.051 1.00 0.00 C ATOM 1551 C LEU A 100 -8.301 7.873 2.284 1.00 0.00 C ATOM 1552 O LEU A 100 -8.888 8.758 1.662 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.371 5.650 1.613 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.600 4.305 0.922 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.472 4.009 -0.055 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.723 3.191 1.951 1.00 0.00 C ATOM 0 HA LEU A 100 -8.992 5.977 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.805 6.291 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.747 5.483 2.491 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.534 4.359 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.651 3.048 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.431 4.793 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.525 3.974 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.886 2.241 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.806 3.135 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.565 3.397 2.612 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.356 8.128 3.185 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.946 9.491 3.499 1.00 0.00 C ATOM 1570 C VAL A 101 -6.957 10.369 2.252 1.00 0.00 C ATOM 1571 O VAL A 101 -7.263 11.560 2.320 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.539 9.524 4.124 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.516 8.926 3.170 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -5.159 10.948 4.503 1.00 0.00 C ATOM 0 H VAL A 101 -6.860 7.407 3.710 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.665 9.880 4.220 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.549 8.921 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.528 8.958 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.782 7.891 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.504 9.499 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.162 10.954 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.166 11.576 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.877 11.336 5.226 1.00 0.00 H new ATOM 1584 N THR A 102 -6.622 9.773 1.112 1.00 0.00 N ATOM 1585 CA THR A 102 -6.592 10.500 -0.150 1.00 0.00 C ATOM 1586 C THR A 102 -6.878 9.573 -1.326 1.00 0.00 C ATOM 1587 O THR A 102 -6.549 8.386 -1.288 1.00 0.00 O ATOM 1588 CB THR A 102 -5.231 11.186 -0.372 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.339 12.166 -1.411 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.164 10.165 -0.740 1.00 0.00 C ATOM 0 H THR A 102 -6.368 8.788 1.037 1.00 0.00 H new ATOM 0 HA THR A 102 -7.370 11.262 -0.093 1.00 0.00 H new ATOM 0 HB THR A 102 -4.940 11.674 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.855 12.976 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.212 10.673 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.063 9.438 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.452 9.652 -1.658 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.493 10.120 -2.370 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.822 9.341 -3.558 1.00 0.00 C ATOM 1600 C HIS A 103 -6.586 9.124 -4.425 1.00 0.00 C ATOM 1601 O HIS A 103 -5.897 10.077 -4.792 1.00 0.00 O ATOM 1602 CB HIS A 103 -8.912 10.044 -4.369 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.639 11.498 -4.603 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.932 12.477 -3.678 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.096 12.137 -5.666 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.582 13.656 -4.162 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.072 13.477 -5.367 1.00 0.00 N ATOM 0 H HIS A 103 -7.773 11.100 -2.417 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.191 8.368 -3.234 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.018 9.543 -5.331 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.864 9.940 -3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.747 11.678 -6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.694 14.605 -3.658 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.718 14.214 -5.976 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.310 7.865 -4.749 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.156 7.523 -5.573 1.00 0.00 C ATOM 1618 C LEU A 104 -5.014 8.493 -6.741 1.00 0.00 C ATOM 1619 O LEU A 104 -5.657 8.330 -7.778 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.286 6.091 -6.097 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.788 5.052 -5.094 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.665 3.650 -5.671 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -5.021 5.161 -3.785 1.00 0.00 C ATOM 0 H LEU A 104 -6.869 7.065 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.263 7.597 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.963 6.098 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.311 5.770 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.841 5.249 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.027 2.924 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.259 3.578 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.620 3.442 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.392 4.414 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.960 4.991 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.161 6.156 -3.363 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.166 9.501 -6.566 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.938 10.497 -7.607 1.00 0.00 C ATOM 1637 C GLN A 105 -2.987 9.963 -8.673 1.00 0.00 C ATOM 1638 O GLN A 105 -3.350 9.854 -9.844 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.371 11.781 -6.998 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.408 12.617 -6.267 1.00 0.00 C ATOM 1641 CD GLN A 105 -3.827 13.890 -5.684 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -2.751 14.335 -6.084 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.537 14.484 -4.732 1.00 0.00 N ATOM 0 H GLN A 105 -3.626 9.650 -5.714 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.895 10.718 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.571 11.522 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.924 12.382 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.214 12.872 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.849 12.023 -5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.424 14.081 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.195 15.344 -4.302 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.769 9.631 -8.259 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.765 9.110 -9.179 1.00 0.00 C ATOM 1654 C TYR A 106 -0.137 7.831 -8.633 1.00 0.00 C ATOM 1655 O TYR A 106 0.460 7.813 -7.557 1.00 0.00 O ATOM 1656 CB TYR A 106 0.320 10.158 -9.429 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.179 11.582 -9.329 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.684 12.242 -10.442 1.00 0.00 C ATOM 1659 CD2 TYR A 106 -0.145 12.267 -8.120 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.140 13.543 -10.355 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.601 13.568 -8.024 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.097 14.202 -9.144 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.551 15.497 -9.053 1.00 0.00 O ATOM 0 H TYR A 106 -1.453 9.713 -7.293 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.259 8.876 -10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.126 10.013 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.745 10.000 -10.420 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.721 11.729 -11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.244 11.774 -7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.528 14.042 -11.231 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.569 14.086 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.452 15.814 -8.131 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.273 6.735 -9.394 1.00 0.00 N ATOM 1674 CA PRO A 107 0.276 5.431 -9.009 1.00 0.00 C ATOM 1675 C PRO A 107 1.799 5.403 -9.068 1.00 0.00 C ATOM 1676 O PRO A 107 2.385 5.173 -10.126 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.318 4.476 -10.047 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.598 5.333 -11.233 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.971 6.684 -10.689 1.00 0.00 C ATOM 0 HA PRO A 107 0.027 5.172 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.379 3.675 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.228 4.004 -9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.276 5.401 -11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.407 4.917 -11.833 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.648 7.487 -11.351 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.050 6.785 -10.568 1.00 0.00 H new ATOM 1687 N VAL A 108 2.435 5.636 -7.924 1.00 0.00 N ATOM 1688 CA VAL A 108 3.891 5.636 -7.846 1.00 0.00 C ATOM 1689 C VAL A 108 4.486 4.509 -8.682 1.00 0.00 C ATOM 1690 O VAL A 108 4.223 3.328 -8.455 1.00 0.00 O ATOM 1691 CB VAL A 108 4.375 5.490 -6.390 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.865 5.189 -6.350 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.054 6.746 -5.595 1.00 0.00 C ATOM 0 H VAL A 108 1.965 5.827 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 108 4.229 6.595 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 108 3.848 4.653 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.188 5.089 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.063 4.259 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.413 6.003 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.402 6.626 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.553 7.602 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.977 6.911 -5.595 1.00 0.00 H new ATOM 1703 N PRO A 109 5.309 4.879 -9.675 1.00 0.00 N ATOM 1704 CA PRO A 109 5.960 3.914 -10.565 1.00 0.00 C ATOM 1705 C PRO A 109 7.031 3.097 -9.851 1.00 0.00 C ATOM 1706 O PRO A 109 7.387 3.385 -8.708 1.00 0.00 O ATOM 1707 CB PRO A 109 6.592 4.798 -11.644 1.00 0.00 C ATOM 1708 CG PRO A 109 6.799 6.115 -10.981 1.00 0.00 C ATOM 1709 CD PRO A 109 5.668 6.269 -10.003 1.00 0.00 C ATOM 0 HA PRO A 109 5.256 3.179 -10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.535 4.380 -11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.940 4.890 -12.512 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.762 6.148 -10.472 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.796 6.924 -11.711 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.976 6.824 -9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.828 6.808 -10.441 1.00 0.00 H new ATOM 1717 N LEU A 110 7.542 2.077 -10.532 1.00 0.00 N ATOM 1718 CA LEU A 110 8.573 1.217 -9.962 1.00 0.00 C ATOM 1719 C LEU A 110 9.957 1.834 -10.141 1.00 0.00 C ATOM 1720 O LEU A 110 10.091 2.934 -10.676 1.00 0.00 O ATOM 1721 CB LEU A 110 8.531 -0.166 -10.616 1.00 0.00 C ATOM 1722 CG LEU A 110 7.167 -0.856 -10.637 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.213 -2.102 -11.508 1.00 0.00 C ATOM 1724 CD2 LEU A 110 6.725 -1.208 -9.224 1.00 0.00 C ATOM 0 H LEU A 110 7.259 1.825 -11.479 1.00 0.00 H new ATOM 0 HA LEU A 110 8.376 1.114 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.884 -0.071 -11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.236 -0.814 -10.095 1.00 0.00 H new ATOM 0 HG LEU A 110 6.439 -0.166 -11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.233 -2.580 -11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.484 -1.824 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.954 -2.796 -11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.752 -1.698 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.454 -1.880 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.652 -0.298 -8.628 1.00 0.00 H new