USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 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 103 HIS :FLIP no HE2:sc= -3.31! C(o=-9.5!,f=-5.6!) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= -2.31! C(o=-5.9!,f=-5.6!) USER MOD Set 2.1: A 50 CYS SG : rot -130:sc= -1.55 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.651 F(o=-1.9,f=-0.65) USER MOD Single : A 16 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 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 78:sc= 0.456 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 40 SER OG : rot -120:sc= -0.172 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= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.0404 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -3.37! C(o=-4.8!,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 128:sc= 1.17 USER MOD Single : A 73 GLN : amide:sc= -3.67! C(o=-3.7!,f=-3.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 1.619 -1.221 -12.825 1.00 0.00 N ATOM 114 CA CYS A 11 3.022 -1.019 -12.482 1.00 0.00 C ATOM 115 C CYS A 11 3.157 -0.363 -11.112 1.00 0.00 C ATOM 116 O CYS A 11 3.990 0.523 -10.916 1.00 0.00 O ATOM 117 CB CYS A 11 3.709 -0.158 -13.543 1.00 0.00 C ATOM 118 SG CYS A 11 4.245 -1.077 -15.005 1.00 0.00 S ATOM 0 HA CYS A 11 3.506 -1.995 -12.447 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.025 0.631 -13.854 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.575 0.329 -13.095 1.00 0.00 H new ATOM 0 HG CYS A 11 4.812 -0.263 -15.845 1.00 0.00 H new ATOM 124 N TRP A 12 2.334 -0.802 -10.167 1.00 0.00 N ATOM 125 CA TRP A 12 2.361 -0.256 -8.815 1.00 0.00 C ATOM 126 C TRP A 12 2.613 -1.355 -7.789 1.00 0.00 C ATOM 127 O TRP A 12 2.350 -1.179 -6.600 1.00 0.00 O ATOM 128 CB TRP A 12 1.043 0.456 -8.504 1.00 0.00 C ATOM 129 CG TRP A 12 -0.136 -0.141 -9.211 1.00 0.00 C ATOM 130 CD1 TRP A 12 -0.868 0.431 -10.212 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.720 -1.426 -8.968 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.872 -0.420 -10.606 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.802 -1.566 -9.859 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.433 -2.471 -8.087 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.596 -2.710 -9.891 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.221 -3.606 -8.120 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.292 -3.718 -9.017 1.00 0.00 C ATOM 0 H TRP A 12 1.639 -1.535 -10.312 1.00 0.00 H new ATOM 0 HA TRP A 12 3.178 0.464 -8.757 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.867 0.425 -7.429 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.131 1.506 -8.783 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.685 1.409 -10.632 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.558 -0.229 -11.336 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.390 -2.394 -7.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.422 -2.798 -10.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.008 -4.420 -7.443 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.889 -4.618 -9.018 1.00 0.00 H new ATOM 148 N ASN A 13 3.124 -2.489 -8.256 1.00 0.00 N ATOM 149 CA ASN A 13 3.412 -3.617 -7.378 1.00 0.00 C ATOM 150 C ASN A 13 4.914 -3.871 -7.292 1.00 0.00 C ATOM 151 O ASN A 13 5.471 -4.638 -8.079 1.00 0.00 O ATOM 152 CB ASN A 13 2.698 -4.875 -7.879 1.00 0.00 C ATOM 153 CG ASN A 13 2.552 -5.926 -6.796 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.525 -6.574 -6.409 1.00 0.00 O ATOM 155 ND2 ASN A 13 1.332 -6.101 -6.302 1.00 0.00 N ATOM 0 H ASN A 13 3.347 -2.651 -9.238 1.00 0.00 H new ATOM 0 HA ASN A 13 3.046 -3.372 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.711 -4.604 -8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.254 -5.295 -8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.172 -6.795 -5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.555 -5.541 -6.653 1.00 0.00 H new ATOM 162 N HIS A 14 5.564 -3.222 -6.332 1.00 0.00 N ATOM 163 CA HIS A 14 7.002 -3.379 -6.142 1.00 0.00 C ATOM 164 C HIS A 14 7.336 -4.786 -5.656 1.00 0.00 C ATOM 165 O HIS A 14 8.170 -5.474 -6.243 1.00 0.00 O ATOM 166 CB HIS A 14 7.521 -2.345 -5.142 1.00 0.00 C ATOM 167 CG HIS A 14 7.294 -0.929 -5.573 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.161 -0.286 -5.943 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.307 0.003 -5.660 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 6.507 1.008 -6.243 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 7.807 1.157 -6.064 1.00 0.00 N flip ATOM 0 H HIS A 14 5.119 -2.583 -5.674 1.00 0.00 H new ATOM 0 HA HIS A 14 7.490 -3.221 -7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.034 -2.506 -4.180 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.589 -2.503 -4.990 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.347 -0.182 -5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.826 1.779 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.335 2.017 -6.212 1.00 0.00 H new ATOM 180 N GLY A 15 6.679 -5.207 -4.579 1.00 0.00 N ATOM 181 CA GLY A 15 6.921 -6.529 -4.033 1.00 0.00 C ATOM 182 C GLY A 15 7.624 -6.482 -2.691 1.00 0.00 C ATOM 183 O GLY A 15 7.405 -5.566 -1.900 1.00 0.00 O ATOM 0 H GLY A 15 5.984 -4.656 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.972 -7.053 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.524 -7.104 -4.736 1.00 0.00 H new ATOM 187 N ASN A 16 8.472 -7.473 -2.433 1.00 0.00 N ATOM 188 CA ASN A 16 9.208 -7.542 -1.176 1.00 0.00 C ATOM 189 C ASN A 16 10.270 -6.450 -1.107 1.00 0.00 C ATOM 190 O ASN A 16 11.406 -6.646 -1.542 1.00 0.00 O ATOM 191 CB ASN A 16 9.862 -8.916 -1.019 1.00 0.00 C ATOM 192 CG ASN A 16 10.644 -9.329 -2.252 1.00 0.00 C ATOM 193 OD1 ASN A 16 10.995 -8.494 -3.086 1.00 0.00 O ATOM 194 ND2 ASN A 16 10.921 -10.622 -2.372 1.00 0.00 N ATOM 0 H ASN A 16 8.666 -8.239 -3.078 1.00 0.00 H new ATOM 0 HA ASN A 16 8.501 -7.388 -0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.529 -8.901 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.093 -9.660 -0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.445 -10.959 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.610 -11.279 -1.656 1.00 0.00 H new ATOM 201 N ILE A 17 9.894 -5.300 -0.558 1.00 0.00 N ATOM 202 CA ILE A 17 10.815 -4.177 -0.431 1.00 0.00 C ATOM 203 C ILE A 17 10.949 -3.739 1.024 1.00 0.00 C ATOM 204 O ILE A 17 9.987 -3.788 1.791 1.00 0.00 O ATOM 205 CB ILE A 17 10.357 -2.975 -1.277 1.00 0.00 C ATOM 206 CG1 ILE A 17 9.051 -2.401 -0.724 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.187 -3.386 -2.732 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.726 -1.021 -1.250 1.00 0.00 C ATOM 0 H ILE A 17 8.958 -5.121 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 17 11.783 -4.519 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 17 11.122 -2.201 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.233 -3.077 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.113 -2.361 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.863 -2.526 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.138 -3.752 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.439 -4.175 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.787 -0.678 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.525 -0.331 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.631 -1.058 -2.335 1.00 0.00 H new ATOM 220 N THR A 18 12.150 -3.308 1.397 1.00 0.00 N ATOM 221 CA THR A 18 12.411 -2.860 2.759 1.00 0.00 C ATOM 222 C THR A 18 11.573 -1.634 3.105 1.00 0.00 C ATOM 223 O THR A 18 11.325 -0.780 2.255 1.00 0.00 O ATOM 224 CB THR A 18 13.901 -2.523 2.964 1.00 0.00 C ATOM 225 OG1 THR A 18 14.103 -1.970 4.269 1.00 0.00 O ATOM 226 CG2 THR A 18 14.383 -1.539 1.910 1.00 0.00 C ATOM 0 H THR A 18 12.957 -3.260 0.775 1.00 0.00 H new ATOM 0 HA THR A 18 12.137 -3.683 3.420 1.00 0.00 H new ATOM 0 HB THR A 18 14.476 -3.444 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.052 -1.760 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.437 -1.316 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.255 -1.975 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.803 -0.619 1.979 1.00 0.00 H new ATOM 234 N ARG A 19 11.140 -1.555 4.359 1.00 0.00 N ATOM 235 CA ARG A 19 10.328 -0.433 4.817 1.00 0.00 C ATOM 236 C ARG A 19 10.886 0.889 4.299 1.00 0.00 C ATOM 237 O ARG A 19 10.179 1.662 3.654 1.00 0.00 O ATOM 238 CB ARG A 19 10.269 -0.410 6.346 1.00 0.00 C ATOM 239 CG ARG A 19 9.014 0.248 6.896 1.00 0.00 C ATOM 240 CD ARG A 19 8.960 0.162 8.414 1.00 0.00 C ATOM 241 NE ARG A 19 10.147 0.742 9.037 1.00 0.00 N ATOM 242 CZ ARG A 19 10.172 1.202 10.283 1.00 0.00 C ATOM 243 NH1 ARG A 19 9.081 1.151 11.034 1.00 0.00 N ATOM 244 NH2 ARG A 19 11.291 1.716 10.779 1.00 0.00 N ATOM 0 H ARG A 19 11.337 -2.254 5.076 1.00 0.00 H new ATOM 0 HA ARG A 19 9.320 -0.561 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.326 -1.433 6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.143 0.118 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.985 1.293 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.133 -0.234 6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.071 0.680 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.866 -0.881 8.715 1.00 0.00 H new ATOM 0 HE ARG A 19 11.003 0.797 8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.219 0.758 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.103 1.505 11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.132 1.758 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.310 2.069 11.736 1.00 0.00 H new ATOM 258 N SER A 20 12.159 1.142 4.586 1.00 0.00 N ATOM 259 CA SER A 20 12.811 2.372 4.153 1.00 0.00 C ATOM 260 C SER A 20 12.414 2.722 2.723 1.00 0.00 C ATOM 261 O SER A 20 12.178 3.886 2.398 1.00 0.00 O ATOM 262 CB SER A 20 14.331 2.231 4.253 1.00 0.00 C ATOM 263 OG SER A 20 14.757 2.238 5.605 1.00 0.00 O ATOM 0 H SER A 20 12.759 0.511 5.117 1.00 0.00 H new ATOM 0 HA SER A 20 12.485 3.178 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.645 1.304 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.811 3.047 3.713 1.00 0.00 H new ATOM 0 HG SER A 20 15.732 2.145 5.641 1.00 0.00 H new ATOM 269 N LYS A 21 12.343 1.706 1.869 1.00 0.00 N ATOM 270 CA LYS A 21 11.974 1.904 0.473 1.00 0.00 C ATOM 271 C LYS A 21 10.542 2.417 0.356 1.00 0.00 C ATOM 272 O LYS A 21 10.282 3.409 -0.324 1.00 0.00 O ATOM 273 CB LYS A 21 12.123 0.595 -0.306 1.00 0.00 C ATOM 274 CG LYS A 21 11.756 0.715 -1.775 1.00 0.00 C ATOM 275 CD LYS A 21 12.938 1.182 -2.608 1.00 0.00 C ATOM 276 CE LYS A 21 12.487 1.758 -3.941 1.00 0.00 C ATOM 277 NZ LYS A 21 13.641 2.181 -4.782 1.00 0.00 N ATOM 0 H LYS A 21 12.536 0.737 2.120 1.00 0.00 H new ATOM 0 HA LYS A 21 12.645 2.651 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.154 0.249 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.494 -0.166 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.408 -0.250 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.930 1.417 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.499 1.936 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.615 0.346 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.900 1.013 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.834 2.612 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.291 2.568 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.187 2.910 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.251 1.361 -4.972 1.00 0.00 H new ATOM 291 N ALA A 22 9.618 1.735 1.024 1.00 0.00 N ATOM 292 CA ALA A 22 8.213 2.124 0.997 1.00 0.00 C ATOM 293 C ALA A 22 8.056 3.626 1.211 1.00 0.00 C ATOM 294 O ALA A 22 7.533 4.332 0.349 1.00 0.00 O ATOM 295 CB ALA A 22 7.432 1.355 2.052 1.00 0.00 C ATOM 0 H ALA A 22 9.817 0.910 1.591 1.00 0.00 H new ATOM 0 HA ALA A 22 7.812 1.879 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.385 1.656 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.509 0.286 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.842 1.572 3.038 1.00 0.00 H new ATOM 301 N GLU A 23 8.511 4.106 2.364 1.00 0.00 N ATOM 302 CA GLU A 23 8.418 5.525 2.689 1.00 0.00 C ATOM 303 C GLU A 23 9.314 6.353 1.773 1.00 0.00 C ATOM 304 O GLU A 23 8.882 7.358 1.209 1.00 0.00 O ATOM 305 CB GLU A 23 8.805 5.762 4.150 1.00 0.00 C ATOM 306 CG GLU A 23 7.955 4.982 5.140 1.00 0.00 C ATOM 307 CD GLU A 23 8.096 5.494 6.560 1.00 0.00 C ATOM 308 OE1 GLU A 23 7.396 6.466 6.913 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.907 4.922 7.318 1.00 0.00 O ATOM 0 H GLU A 23 8.947 3.534 3.088 1.00 0.00 H new ATOM 0 HA GLU A 23 7.385 5.839 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.851 5.489 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.721 6.826 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.909 5.039 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.239 3.930 5.107 1.00 0.00 H new ATOM 316 N GLU A 24 10.564 5.923 1.631 1.00 0.00 N ATOM 317 CA GLU A 24 11.521 6.626 0.785 1.00 0.00 C ATOM 318 C GLU A 24 10.846 7.154 -0.477 1.00 0.00 C ATOM 319 O GLU A 24 10.798 8.363 -0.710 1.00 0.00 O ATOM 320 CB GLU A 24 12.679 5.699 0.408 1.00 0.00 C ATOM 321 CG GLU A 24 13.628 6.297 -0.617 1.00 0.00 C ATOM 322 CD GLU A 24 14.447 5.243 -1.338 1.00 0.00 C ATOM 323 OE1 GLU A 24 13.843 4.297 -1.887 1.00 0.00 O ATOM 324 OE2 GLU A 24 15.689 5.364 -1.354 1.00 0.00 O ATOM 0 H GLU A 24 10.937 5.092 2.090 1.00 0.00 H new ATOM 0 HA GLU A 24 11.912 7.473 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.241 5.448 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.274 4.766 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.055 6.869 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.300 6.997 -0.120 1.00 0.00 H new ATOM 331 N LEU A 25 10.327 6.240 -1.290 1.00 0.00 N ATOM 332 CA LEU A 25 9.654 6.613 -2.530 1.00 0.00 C ATOM 333 C LEU A 25 8.657 7.742 -2.290 1.00 0.00 C ATOM 334 O LEU A 25 8.702 8.777 -2.958 1.00 0.00 O ATOM 335 CB LEU A 25 8.937 5.402 -3.128 1.00 0.00 C ATOM 336 CG LEU A 25 9.835 4.279 -3.648 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.111 2.943 -3.582 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.287 4.573 -5.070 1.00 0.00 C ATOM 0 H LEU A 25 10.359 5.236 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 25 10.409 6.964 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.273 4.987 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.308 5.746 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 25 10.718 4.222 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.765 2.156 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.838 2.728 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.210 2.987 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.925 3.763 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.415 4.658 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.845 5.509 -5.088 1.00 0.00 H new ATOM 350 N LEU A 26 7.759 7.538 -1.333 1.00 0.00 N ATOM 351 CA LEU A 26 6.751 8.540 -1.004 1.00 0.00 C ATOM 352 C LEU A 26 7.401 9.886 -0.699 1.00 0.00 C ATOM 353 O LEU A 26 7.094 10.893 -1.338 1.00 0.00 O ATOM 354 CB LEU A 26 5.919 8.080 0.195 1.00 0.00 C ATOM 355 CG LEU A 26 5.029 6.859 -0.036 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.510 6.319 1.288 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.872 7.209 -0.961 1.00 0.00 C ATOM 0 H LEU A 26 7.708 6.688 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 26 6.097 8.660 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.597 7.860 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.288 8.910 0.514 1.00 0.00 H new ATOM 0 HG LEU A 26 5.627 6.083 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.878 5.450 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.351 6.029 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.928 7.090 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.249 6.328 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.274 8.002 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.263 7.548 -1.920 1.00 0.00 H new ATOM 369 N SER A 27 8.302 9.896 0.278 1.00 0.00 N ATOM 370 CA SER A 27 8.994 11.118 0.668 1.00 0.00 C ATOM 371 C SER A 27 9.558 11.837 -0.554 1.00 0.00 C ATOM 372 O SER A 27 9.289 13.019 -0.772 1.00 0.00 O ATOM 373 CB SER A 27 10.123 10.799 1.651 1.00 0.00 C ATOM 374 OG SER A 27 10.637 11.982 2.239 1.00 0.00 O ATOM 0 H SER A 27 8.570 9.071 0.814 1.00 0.00 H new ATOM 0 HA SER A 27 8.273 11.775 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.753 10.133 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.922 10.270 1.132 1.00 0.00 H new ATOM 0 HG SER A 27 11.356 11.751 2.864 1.00 0.00 H new ATOM 380 N ARG A 28 10.340 11.114 -1.349 1.00 0.00 N ATOM 381 CA ARG A 28 10.943 11.682 -2.549 1.00 0.00 C ATOM 382 C ARG A 28 9.885 12.343 -3.428 1.00 0.00 C ATOM 383 O ARG A 28 9.891 13.560 -3.618 1.00 0.00 O ATOM 384 CB ARG A 28 11.674 10.596 -3.341 1.00 0.00 C ATOM 385 CG ARG A 28 12.845 9.981 -2.593 1.00 0.00 C ATOM 386 CD ARG A 28 13.770 9.223 -3.533 1.00 0.00 C ATOM 387 NE ARG A 28 14.356 10.095 -4.546 1.00 0.00 N ATOM 388 CZ ARG A 28 13.800 10.322 -5.731 1.00 0.00 C ATOM 389 NH1 ARG A 28 12.650 9.744 -6.049 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.394 11.129 -6.601 1.00 0.00 N ATOM 0 H ARG A 28 10.571 10.134 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 28 11.661 12.442 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.966 9.809 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.035 11.022 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.405 10.765 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.472 9.305 -1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.566 8.752 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.214 8.423 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 28 15.241 10.555 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.190 9.123 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.225 9.920 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.279 11.576 -6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.966 11.302 -7.510 1.00 0.00 H new ATOM 404 N THR A 29 8.978 11.533 -3.964 1.00 0.00 N ATOM 405 CA THR A 29 7.915 12.038 -4.825 1.00 0.00 C ATOM 406 C THR A 29 7.416 13.395 -4.343 1.00 0.00 C ATOM 407 O THR A 29 7.266 14.328 -5.131 1.00 0.00 O ATOM 408 CB THR A 29 6.728 11.058 -4.884 1.00 0.00 C ATOM 409 OG1 THR A 29 7.176 9.771 -5.321 1.00 0.00 O ATOM 410 CG2 THR A 29 5.650 11.572 -5.827 1.00 0.00 C ATOM 0 H THR A 29 8.958 10.524 -3.817 1.00 0.00 H new ATOM 0 HA THR A 29 8.339 12.144 -5.823 1.00 0.00 H new ATOM 0 HB THR A 29 6.305 10.974 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.617 9.308 -4.578 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.822 10.864 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.290 12.539 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.065 11.682 -6.829 1.00 0.00 H new ATOM 418 N GLY A 30 7.161 13.499 -3.042 1.00 0.00 N ATOM 419 CA GLY A 30 6.682 14.747 -2.478 1.00 0.00 C ATOM 420 C GLY A 30 5.432 15.255 -3.170 1.00 0.00 C ATOM 421 O GLY A 30 5.316 16.444 -3.464 1.00 0.00 O ATOM 0 H GLY A 30 7.278 12.741 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.475 14.607 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.466 15.500 -2.552 1.00 0.00 H new ATOM 425 N LYS A 31 4.495 14.351 -3.432 1.00 0.00 N ATOM 426 CA LYS A 31 3.247 14.712 -4.095 1.00 0.00 C ATOM 427 C LYS A 31 2.050 14.420 -3.196 1.00 0.00 C ATOM 428 O LYS A 31 2.157 13.665 -2.229 1.00 0.00 O ATOM 429 CB LYS A 31 3.107 13.948 -5.414 1.00 0.00 C ATOM 430 CG LYS A 31 3.729 14.663 -6.600 1.00 0.00 C ATOM 431 CD LYS A 31 3.149 14.171 -7.915 1.00 0.00 C ATOM 432 CE LYS A 31 3.477 15.119 -9.059 1.00 0.00 C ATOM 433 NZ LYS A 31 2.447 16.184 -9.210 1.00 0.00 N ATOM 0 H LYS A 31 4.576 13.362 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 31 3.271 15.782 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.571 12.968 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.049 13.779 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.563 15.736 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.808 14.506 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.542 13.179 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.068 14.072 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.450 15.577 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.554 14.554 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.707 16.809 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.523 15.748 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.391 16.740 -8.333 1.00 0.00 H new ATOM 447 N ASP A 32 0.911 15.021 -3.522 1.00 0.00 N ATOM 448 CA ASP A 32 -0.308 14.823 -2.746 1.00 0.00 C ATOM 449 C ASP A 32 -1.226 13.811 -3.424 1.00 0.00 C ATOM 450 O ASP A 32 -2.008 14.161 -4.306 1.00 0.00 O ATOM 451 CB ASP A 32 -1.041 16.153 -2.561 1.00 0.00 C ATOM 452 CG ASP A 32 -0.182 17.198 -1.879 1.00 0.00 C ATOM 453 OD1 ASP A 32 0.564 16.837 -0.944 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.253 18.379 -2.280 1.00 0.00 O ATOM 0 H ASP A 32 0.806 15.649 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.028 14.432 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.359 16.527 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.943 15.988 -1.972 1.00 0.00 H new ATOM 459 N GLY A 33 -1.124 12.553 -3.005 1.00 0.00 N ATOM 460 CA GLY A 33 -1.950 11.510 -3.583 1.00 0.00 C ATOM 461 C GLY A 33 -1.131 10.347 -4.108 1.00 0.00 C ATOM 462 O GLY A 33 -1.492 9.727 -5.109 1.00 0.00 O ATOM 0 H GLY A 33 -0.484 12.238 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.651 11.147 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.543 11.929 -4.396 1.00 0.00 H new ATOM 466 N SER A 34 -0.026 10.051 -3.432 1.00 0.00 N ATOM 467 CA SER A 34 0.850 8.958 -3.840 1.00 0.00 C ATOM 468 C SER A 34 0.513 7.679 -3.078 1.00 0.00 C ATOM 469 O SER A 34 0.133 7.722 -1.908 1.00 0.00 O ATOM 470 CB SER A 34 2.314 9.334 -3.605 1.00 0.00 C ATOM 471 OG SER A 34 2.705 10.408 -4.443 1.00 0.00 O ATOM 0 H SER A 34 0.284 10.552 -2.600 1.00 0.00 H new ATOM 0 HA SER A 34 0.695 8.779 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.458 9.612 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.950 8.470 -3.796 1.00 0.00 H new ATOM 0 HG SER A 34 3.504 10.838 -4.072 1.00 0.00 H new ATOM 477 N PHE A 35 0.655 6.542 -3.750 1.00 0.00 N ATOM 478 CA PHE A 35 0.366 5.251 -3.139 1.00 0.00 C ATOM 479 C PHE A 35 1.110 4.129 -3.857 1.00 0.00 C ATOM 480 O PHE A 35 1.601 4.309 -4.973 1.00 0.00 O ATOM 481 CB PHE A 35 -1.139 4.976 -3.164 1.00 0.00 C ATOM 482 CG PHE A 35 -1.665 4.643 -4.531 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.922 5.645 -5.452 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.903 3.327 -4.894 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.405 5.342 -6.711 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.386 3.018 -6.151 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.639 4.027 -7.060 1.00 0.00 C ATOM 0 H PHE A 35 0.969 6.489 -4.719 1.00 0.00 H new ATOM 0 HA PHE A 35 0.706 5.284 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.361 4.151 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.666 5.851 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.743 6.676 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.709 2.534 -4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.599 6.133 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.566 1.988 -6.423 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.019 3.787 -8.042 1.00 0.00 H new ATOM 497 N LEU A 36 1.191 2.972 -3.210 1.00 0.00 N ATOM 498 CA LEU A 36 1.876 1.820 -3.786 1.00 0.00 C ATOM 499 C LEU A 36 1.455 0.531 -3.088 1.00 0.00 C ATOM 500 O LEU A 36 0.934 0.558 -1.973 1.00 0.00 O ATOM 501 CB LEU A 36 3.392 1.998 -3.681 1.00 0.00 C ATOM 502 CG LEU A 36 3.951 2.171 -2.269 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.228 0.817 -1.635 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.215 3.018 -2.296 1.00 0.00 C ATOM 0 H LEU A 36 0.791 2.806 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 36 1.596 1.751 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.872 1.132 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.677 2.868 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 36 3.205 2.686 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.625 0.960 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.302 0.244 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.955 0.274 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.599 3.131 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.967 2.530 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.986 4.001 -2.709 1.00 0.00 H new ATOM 516 N VAL A 37 1.686 -0.598 -3.751 1.00 0.00 N ATOM 517 CA VAL A 37 1.333 -1.898 -3.193 1.00 0.00 C ATOM 518 C VAL A 37 2.562 -2.790 -3.060 1.00 0.00 C ATOM 519 O VAL A 37 3.130 -3.235 -4.057 1.00 0.00 O ATOM 520 CB VAL A 37 0.284 -2.616 -4.063 1.00 0.00 C ATOM 521 CG1 VAL A 37 -0.106 -3.948 -3.439 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.939 -1.732 -4.260 1.00 0.00 C ATOM 0 H VAL A 37 2.116 -0.638 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 37 0.911 -1.715 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 37 0.722 -2.815 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.848 -4.441 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.776 -4.582 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.526 -3.776 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.670 -2.255 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.381 -1.501 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.643 -0.806 -4.754 1.00 0.00 H new ATOM 532 N ARG A 38 2.967 -3.048 -1.820 1.00 0.00 N ATOM 533 CA ARG A 38 4.130 -3.887 -1.556 1.00 0.00 C ATOM 534 C ARG A 38 3.714 -5.202 -0.903 1.00 0.00 C ATOM 535 O ARG A 38 2.586 -5.344 -0.432 1.00 0.00 O ATOM 536 CB ARG A 38 5.123 -3.150 -0.655 1.00 0.00 C ATOM 537 CG ARG A 38 4.569 -2.824 0.723 1.00 0.00 C ATOM 538 CD ARG A 38 5.615 -2.153 1.599 1.00 0.00 C ATOM 539 NE ARG A 38 6.542 -3.120 2.182 1.00 0.00 N ATOM 540 CZ ARG A 38 6.247 -3.881 3.230 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.057 -3.788 3.808 1.00 0.00 N ATOM 542 NH2 ARG A 38 7.144 -4.738 3.703 1.00 0.00 N ATOM 0 H ARG A 38 2.507 -2.688 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 38 4.610 -4.110 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.020 -3.759 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.426 -2.224 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.703 -2.170 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.223 -3.739 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.173 -1.428 1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.119 -1.600 2.397 1.00 0.00 H new ATOM 0 HE ARG A 38 7.466 -3.216 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.365 -3.131 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.834 -4.374 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.061 -4.812 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.917 -5.322 4.508 1.00 0.00 H new ATOM 556 N ALA A 39 4.633 -6.162 -0.880 1.00 0.00 N ATOM 557 CA ALA A 39 4.363 -7.465 -0.285 1.00 0.00 C ATOM 558 C ALA A 39 3.831 -7.319 1.137 1.00 0.00 C ATOM 559 O ALA A 39 3.634 -6.206 1.625 1.00 0.00 O ATOM 560 CB ALA A 39 5.621 -8.321 -0.294 1.00 0.00 C ATOM 0 H ALA A 39 5.571 -6.062 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 39 3.597 -7.958 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.404 -9.291 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.958 -8.462 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.403 -7.824 0.279 1.00 0.00 H new ATOM 566 N SER A 40 3.599 -8.449 1.796 1.00 0.00 N ATOM 567 CA SER A 40 3.085 -8.447 3.161 1.00 0.00 C ATOM 568 C SER A 40 4.173 -8.851 4.151 1.00 0.00 C ATOM 569 O SER A 40 5.328 -9.047 3.775 1.00 0.00 O ATOM 570 CB SER A 40 1.892 -9.397 3.280 1.00 0.00 C ATOM 571 OG SER A 40 2.265 -10.727 2.964 1.00 0.00 O ATOM 0 H SER A 40 3.759 -9.378 1.407 1.00 0.00 H new ATOM 0 HA SER A 40 2.759 -7.435 3.400 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.493 -9.359 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.095 -9.071 2.611 1.00 0.00 H new ATOM 0 HG SER A 40 1.735 -11.043 2.202 1.00 0.00 H new ATOM 657 N ALA A 46 -1.003 -12.121 1.181 1.00 0.00 N ATOM 658 CA ALA A 46 -1.344 -10.797 1.687 1.00 0.00 C ATOM 659 C ALA A 46 -0.528 -9.716 0.987 1.00 0.00 C ATOM 660 O ALA A 46 0.332 -10.012 0.158 1.00 0.00 O ATOM 661 CB ALA A 46 -1.125 -10.735 3.191 1.00 0.00 C ATOM 0 HA ALA A 46 -2.398 -10.614 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.383 -9.741 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.756 -11.477 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.079 -10.943 3.415 1.00 0.00 H new ATOM 667 N TYR A 47 -0.805 -8.461 1.324 1.00 0.00 N ATOM 668 CA TYR A 47 -0.099 -7.335 0.725 1.00 0.00 C ATOM 669 C TYR A 47 -0.119 -6.124 1.653 1.00 0.00 C ATOM 670 O TYR A 47 -0.631 -6.191 2.770 1.00 0.00 O ATOM 671 CB TYR A 47 -0.726 -6.971 -0.621 1.00 0.00 C ATOM 672 CG TYR A 47 -0.268 -7.852 -1.761 1.00 0.00 C ATOM 673 CD1 TYR A 47 1.010 -7.728 -2.292 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.114 -8.811 -2.307 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.432 -8.531 -3.333 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.699 -9.619 -3.348 1.00 0.00 C ATOM 677 CZ TYR A 47 0.574 -9.475 -3.858 1.00 0.00 C ATOM 678 OH TYR A 47 0.991 -10.277 -4.895 1.00 0.00 O ATOM 0 H TYR A 47 -1.514 -8.198 2.009 1.00 0.00 H new ATOM 0 HA TYR A 47 0.938 -7.631 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.811 -7.036 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.486 -5.934 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.685 -6.991 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.112 -8.926 -1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.429 -8.421 -3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.368 -10.360 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 47 0.268 -10.888 -5.147 1.00 0.00 H new ATOM 688 N ALA A 48 0.442 -5.016 1.180 1.00 0.00 N ATOM 689 CA ALA A 48 0.488 -3.788 1.964 1.00 0.00 C ATOM 690 C ALA A 48 0.406 -2.559 1.065 1.00 0.00 C ATOM 691 O ALA A 48 1.298 -2.312 0.252 1.00 0.00 O ATOM 692 CB ALA A 48 1.754 -3.745 2.806 1.00 0.00 C ATOM 0 H ALA A 48 0.871 -4.944 0.257 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.376 -3.778 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.774 -2.822 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.770 -4.599 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.626 -3.783 2.154 1.00 0.00 H new ATOM 698 N LEU A 49 -0.668 -1.792 1.216 1.00 0.00 N ATOM 699 CA LEU A 49 -0.866 -0.588 0.416 1.00 0.00 C ATOM 700 C LEU A 49 -0.394 0.651 1.171 1.00 0.00 C ATOM 701 O LEU A 49 -1.055 1.112 2.102 1.00 0.00 O ATOM 702 CB LEU A 49 -2.342 -0.438 0.041 1.00 0.00 C ATOM 703 CG LEU A 49 -2.719 0.844 -0.701 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.173 0.821 -2.120 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.229 1.029 -0.712 1.00 0.00 C ATOM 0 H LEU A 49 -1.415 -1.982 1.884 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.274 -0.685 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.627 -1.289 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.935 -0.494 0.954 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.273 1.689 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.452 1.742 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.087 0.737 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.589 -0.032 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.479 1.947 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.696 0.180 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.595 1.093 0.313 1.00 0.00 H new ATOM 717 N CYS A 50 0.751 1.185 0.763 1.00 0.00 N ATOM 718 CA CYS A 50 1.311 2.372 1.399 1.00 0.00 C ATOM 719 C CYS A 50 0.827 3.641 0.706 1.00 0.00 C ATOM 720 O CYS A 50 0.861 3.742 -0.521 1.00 0.00 O ATOM 721 CB CYS A 50 2.840 2.315 1.376 1.00 0.00 C ATOM 722 SG CYS A 50 3.531 0.778 2.031 1.00 0.00 S ATOM 0 H CYS A 50 1.310 0.815 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 50 0.971 2.394 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.182 2.446 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.233 3.152 1.953 1.00 0.00 H new ATOM 0 HG CYS A 50 4.453 1.054 2.905 1.00 0.00 H new ATOM 728 N VAL A 51 0.375 4.607 1.499 1.00 0.00 N ATOM 729 CA VAL A 51 -0.117 5.870 0.961 1.00 0.00 C ATOM 730 C VAL A 51 0.510 7.057 1.684 1.00 0.00 C ATOM 731 O VAL A 51 0.835 6.975 2.870 1.00 0.00 O ATOM 732 CB VAL A 51 -1.650 5.968 1.072 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.133 7.336 0.616 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.314 4.862 0.265 1.00 0.00 C ATOM 0 H VAL A 51 0.339 4.539 2.516 1.00 0.00 H new ATOM 0 HA VAL A 51 0.167 5.898 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.930 5.842 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.218 7.386 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.684 8.108 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.843 7.497 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.397 4.946 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.028 4.954 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.993 3.892 0.644 1.00 0.00 H new ATOM 744 N LEU A 52 0.679 8.160 0.963 1.00 0.00 N ATOM 745 CA LEU A 52 1.267 9.366 1.536 1.00 0.00 C ATOM 746 C LEU A 52 0.221 10.466 1.682 1.00 0.00 C ATOM 747 O LEU A 52 -0.595 10.684 0.786 1.00 0.00 O ATOM 748 CB LEU A 52 2.422 9.858 0.662 1.00 0.00 C ATOM 749 CG LEU A 52 3.080 11.168 1.094 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.999 10.937 2.284 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.849 11.787 -0.064 1.00 0.00 C ATOM 0 H LEU A 52 0.417 8.244 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 52 1.648 9.119 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.187 9.082 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.054 9.978 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 52 2.296 11.863 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.459 11.881 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.421 10.540 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.777 10.224 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.311 12.719 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.623 11.096 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.165 11.990 -0.888 1.00 0.00 H new ATOM 763 N TYR A 53 0.251 11.156 2.817 1.00 0.00 N ATOM 764 CA TYR A 53 -0.695 12.234 3.081 1.00 0.00 C ATOM 765 C TYR A 53 -0.283 13.031 4.315 1.00 0.00 C ATOM 766 O TYR A 53 0.069 12.459 5.347 1.00 0.00 O ATOM 767 CB TYR A 53 -2.104 11.669 3.272 1.00 0.00 C ATOM 768 CG TYR A 53 -3.177 12.731 3.346 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.745 13.254 2.190 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.623 13.212 4.570 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.725 14.225 2.253 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.604 14.182 4.642 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.152 14.686 3.481 1.00 0.00 C ATOM 774 OH TYR A 53 -6.129 15.653 3.548 1.00 0.00 O ATOM 0 H TYR A 53 0.920 10.988 3.569 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.693 12.904 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.330 10.993 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.128 11.076 4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.414 12.895 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.196 12.821 5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.155 14.622 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.940 14.544 5.602 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.315 15.865 4.486 1.00 0.00 H new ATOM 784 N ARG A 54 -0.329 14.354 4.200 1.00 0.00 N ATOM 785 CA ARG A 54 0.040 15.230 5.305 1.00 0.00 C ATOM 786 C ARG A 54 1.397 14.837 5.880 1.00 0.00 C ATOM 787 O ARG A 54 1.572 14.775 7.096 1.00 0.00 O ATOM 788 CB ARG A 54 -1.026 15.179 6.401 1.00 0.00 C ATOM 789 CG ARG A 54 -2.351 15.802 5.993 1.00 0.00 C ATOM 790 CD ARG A 54 -2.402 17.281 6.343 1.00 0.00 C ATOM 791 NE ARG A 54 -1.773 18.109 5.318 1.00 0.00 N ATOM 792 CZ ARG A 54 -2.046 19.397 5.143 1.00 0.00 C ATOM 793 NH1 ARG A 54 -2.932 20.002 5.923 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.432 20.083 4.188 1.00 0.00 N ATOM 0 H ARG A 54 -0.618 14.843 3.353 1.00 0.00 H new ATOM 0 HA ARG A 54 0.109 16.248 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.195 14.140 6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.650 15.693 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.499 15.675 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.168 15.281 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.440 17.588 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.903 17.445 7.298 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.086 17.674 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.405 19.478 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.140 20.991 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.749 19.621 3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.643 21.072 4.055 1.00 0.00 H new ATOM 808 N ASN A 55 2.355 14.573 4.997 1.00 0.00 N ATOM 809 CA ASN A 55 3.696 14.185 5.418 1.00 0.00 C ATOM 810 C ASN A 55 3.651 12.945 6.306 1.00 0.00 C ATOM 811 O ASN A 55 4.418 12.825 7.262 1.00 0.00 O ATOM 812 CB ASN A 55 4.372 15.337 6.165 1.00 0.00 C ATOM 813 CG ASN A 55 5.108 16.279 5.231 1.00 0.00 C ATOM 814 OD1 ASN A 55 5.145 16.066 4.019 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.698 17.327 5.793 1.00 0.00 N ATOM 0 H ASN A 55 2.227 14.621 3.986 1.00 0.00 H new ATOM 0 HA ASN A 55 4.276 13.949 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.620 15.896 6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.073 14.932 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.208 17.995 5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.641 17.464 6.802 1.00 0.00 H new ATOM 822 N CYS A 56 2.748 12.026 5.983 1.00 0.00 N ATOM 823 CA CYS A 56 2.602 10.795 6.751 1.00 0.00 C ATOM 824 C CYS A 56 2.468 9.590 5.826 1.00 0.00 C ATOM 825 O CYS A 56 2.108 9.728 4.657 1.00 0.00 O ATOM 826 CB CYS A 56 1.383 10.885 7.672 1.00 0.00 C ATOM 827 SG CYS A 56 1.421 9.729 9.061 1.00 0.00 S ATOM 0 H CYS A 56 2.106 12.110 5.195 1.00 0.00 H new ATOM 0 HA CYS A 56 3.498 10.666 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.309 11.901 8.060 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.483 10.702 7.085 1.00 0.00 H new ATOM 0 HG CYS A 56 0.351 9.882 9.783 1.00 0.00 H new ATOM 833 N VAL A 57 2.761 8.407 6.358 1.00 0.00 N ATOM 834 CA VAL A 57 2.674 7.177 5.580 1.00 0.00 C ATOM 835 C VAL A 57 1.649 6.220 6.179 1.00 0.00 C ATOM 836 O VAL A 57 1.821 5.727 7.293 1.00 0.00 O ATOM 837 CB VAL A 57 4.038 6.466 5.500 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.912 5.153 4.741 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.072 7.371 4.847 1.00 0.00 C ATOM 0 H VAL A 57 3.060 8.275 7.324 1.00 0.00 H new ATOM 0 HA VAL A 57 2.360 7.459 4.575 1.00 0.00 H new ATOM 0 HB VAL A 57 4.372 6.242 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.885 4.665 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.204 4.502 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.556 5.350 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.030 6.853 4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.746 7.627 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.182 8.282 5.435 1.00 0.00 H new ATOM 849 N TYR A 58 0.582 5.961 5.430 1.00 0.00 N ATOM 850 CA TYR A 58 -0.472 5.064 5.887 1.00 0.00 C ATOM 851 C TYR A 58 -0.309 3.675 5.277 1.00 0.00 C ATOM 852 O TYR A 58 -0.949 3.342 4.279 1.00 0.00 O ATOM 853 CB TYR A 58 -1.846 5.632 5.528 1.00 0.00 C ATOM 854 CG TYR A 58 -2.198 6.891 6.288 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.546 8.090 6.024 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.181 6.882 7.269 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.864 9.243 6.716 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.506 8.031 7.965 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.845 9.208 7.685 1.00 0.00 C ATOM 860 OH TYR A 58 -3.165 10.354 8.377 1.00 0.00 O ATOM 0 H TYR A 58 0.425 6.360 4.504 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.394 4.977 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.875 5.843 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.605 4.875 5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.778 8.121 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.700 5.962 7.492 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.347 10.166 6.499 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.274 8.007 8.724 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.876 10.159 9.023 1.00 0.00 H new ATOM 870 N THR A 59 0.554 2.866 5.885 1.00 0.00 N ATOM 871 CA THR A 59 0.803 1.514 5.404 1.00 0.00 C ATOM 872 C THR A 59 -0.348 0.581 5.762 1.00 0.00 C ATOM 873 O THR A 59 -0.537 0.232 6.928 1.00 0.00 O ATOM 874 CB THR A 59 2.111 0.943 5.984 1.00 0.00 C ATOM 875 OG1 THR A 59 3.175 1.886 5.814 1.00 0.00 O ATOM 876 CG2 THR A 59 2.476 -0.369 5.307 1.00 0.00 C ATOM 0 H THR A 59 1.092 3.125 6.712 1.00 0.00 H new ATOM 0 HA THR A 59 0.892 1.577 4.319 1.00 0.00 H new ATOM 0 HB THR A 59 1.959 0.755 7.047 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.002 1.516 6.187 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.403 -0.753 5.733 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.677 -1.094 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.610 -0.202 4.238 1.00 0.00 H new ATOM 884 N TYR A 60 -1.114 0.180 4.754 1.00 0.00 N ATOM 885 CA TYR A 60 -2.248 -0.712 4.963 1.00 0.00 C ATOM 886 C TYR A 60 -1.815 -2.172 4.887 1.00 0.00 C ATOM 887 O TYR A 60 -0.689 -2.478 4.492 1.00 0.00 O ATOM 888 CB TYR A 60 -3.338 -0.437 3.926 1.00 0.00 C ATOM 889 CG TYR A 60 -4.156 0.801 4.221 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.167 0.779 5.174 1.00 0.00 C ATOM 891 CD2 TYR A 60 -3.917 1.992 3.546 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.917 1.907 5.445 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.661 3.125 3.813 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.660 3.077 4.762 1.00 0.00 C ATOM 895 OH TYR A 60 -6.404 4.204 5.031 1.00 0.00 O ATOM 0 H TYR A 60 -0.970 0.459 3.783 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.647 -0.522 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.876 -0.332 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.004 -1.298 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.370 -0.135 5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.137 2.033 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.700 1.873 6.188 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.461 4.043 3.281 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.857 5.002 4.875 1.00 0.00 H new ATOM 905 N ARG A 61 -2.717 -3.071 5.267 1.00 0.00 N ATOM 906 CA ARG A 61 -2.429 -4.500 5.243 1.00 0.00 C ATOM 907 C ARG A 61 -3.559 -5.271 4.567 1.00 0.00 C ATOM 908 O ARG A 61 -4.644 -5.422 5.131 1.00 0.00 O ATOM 909 CB ARG A 61 -2.219 -5.024 6.664 1.00 0.00 C ATOM 910 CG ARG A 61 -0.845 -4.707 7.234 1.00 0.00 C ATOM 911 CD ARG A 61 -0.401 -5.760 8.236 1.00 0.00 C ATOM 912 NE ARG A 61 1.024 -5.659 8.541 1.00 0.00 N ATOM 913 CZ ARG A 61 1.527 -4.809 9.429 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.725 -3.990 10.096 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.835 -4.776 9.651 1.00 0.00 N ATOM 0 H ARG A 61 -3.653 -2.835 5.595 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.515 -4.651 4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.981 -4.597 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.365 -6.104 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.119 -4.646 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.867 -3.730 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.977 -5.652 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.617 -6.752 7.839 1.00 0.00 H new ATOM 0 HE ARG A 61 1.668 -6.275 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.281 -4.012 9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.114 -3.338 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.455 -5.404 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.220 -4.123 10.333 1.00 0.00 H new ATOM 929 N ILE A 62 -3.298 -5.755 3.358 1.00 0.00 N ATOM 930 CA ILE A 62 -4.293 -6.510 2.606 1.00 0.00 C ATOM 931 C ILE A 62 -4.115 -8.011 2.813 1.00 0.00 C ATOM 932 O ILE A 62 -3.281 -8.643 2.164 1.00 0.00 O ATOM 933 CB ILE A 62 -4.217 -6.198 1.100 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.414 -4.700 0.857 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.259 -7.005 0.339 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.123 -3.912 0.869 1.00 0.00 C ATOM 0 H ILE A 62 -2.406 -5.638 2.878 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.270 -6.207 2.982 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.229 -6.480 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.908 -4.558 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.081 -4.301 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.193 -6.774 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.077 -8.069 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.254 -6.751 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.338 -2.858 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.637 -4.024 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.462 -4.285 0.087 1.00 0.00 H new ATOM 948 N LEU A 63 -4.906 -8.576 3.718 1.00 0.00 N ATOM 949 CA LEU A 63 -4.838 -10.003 4.009 1.00 0.00 C ATOM 950 C LEU A 63 -5.819 -10.784 3.139 1.00 0.00 C ATOM 951 O LEU A 63 -6.761 -10.230 2.574 1.00 0.00 O ATOM 952 CB LEU A 63 -5.137 -10.257 5.488 1.00 0.00 C ATOM 953 CG LEU A 63 -3.929 -10.263 6.425 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.252 -8.901 6.432 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.348 -10.659 7.834 1.00 0.00 C ATOM 0 H LEU A 63 -5.602 -8.067 4.263 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.828 -10.347 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.836 -9.495 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.645 -11.218 5.576 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.214 -11.000 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.394 -8.924 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.916 -8.656 5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.959 -8.145 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.475 -10.658 8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.083 -9.946 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.787 -11.657 7.816 1.00 0.00 H new ATOM 967 N PRO A 64 -5.594 -12.102 3.031 1.00 0.00 N ATOM 968 CA PRO A 64 -6.449 -12.987 2.234 1.00 0.00 C ATOM 969 C PRO A 64 -7.829 -13.174 2.855 1.00 0.00 C ATOM 970 O PRO A 64 -8.004 -13.008 4.061 1.00 0.00 O ATOM 971 CB PRO A 64 -5.681 -14.311 2.229 1.00 0.00 C ATOM 972 CG PRO A 64 -4.852 -14.273 3.467 1.00 0.00 C ATOM 973 CD PRO A 64 -4.489 -12.829 3.678 1.00 0.00 C ATOM 0 HA PRO A 64 -6.638 -12.584 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.361 -15.163 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.059 -14.405 1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.406 -14.665 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.959 -14.888 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.413 -12.584 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.528 -12.586 3.225 1.00 0.00 H new ATOM 981 N ASN A 65 -8.805 -13.520 2.022 1.00 0.00 N ATOM 982 CA ASN A 65 -10.171 -13.730 2.491 1.00 0.00 C ATOM 983 C ASN A 65 -10.598 -15.180 2.290 1.00 0.00 C ATOM 984 O ASN A 65 -9.806 -16.016 1.855 1.00 0.00 O ATOM 985 CB ASN A 65 -11.133 -12.795 1.755 1.00 0.00 C ATOM 986 CG ASN A 65 -10.799 -11.332 1.973 1.00 0.00 C ATOM 987 OD1 ASN A 65 -10.715 -10.576 0.885 1.00 0.00 O flip ATOM 988 ND2 ASN A 65 -10.620 -10.888 3.107 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.676 -13.661 1.020 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.202 -13.506 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.105 -13.016 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.151 -12.987 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.695 -11.507 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.397 -9.902 3.239 1.00 0.00 H new ATOM 995 N GLU A 66 -11.856 -15.470 2.608 1.00 0.00 N ATOM 996 CA GLU A 66 -12.388 -16.820 2.462 1.00 0.00 C ATOM 997 C GLU A 66 -12.124 -17.360 1.060 1.00 0.00 C ATOM 998 O GLU A 66 -11.466 -18.387 0.892 1.00 0.00 O ATOM 999 CB GLU A 66 -13.891 -16.833 2.751 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.416 -18.194 3.176 1.00 0.00 C ATOM 1001 CD GLU A 66 -13.829 -18.661 4.494 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -13.646 -17.815 5.394 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -13.551 -19.872 4.624 1.00 0.00 O ATOM 0 H GLU A 66 -12.525 -14.789 2.968 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.881 -17.463 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.108 -16.108 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.427 -16.508 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.502 -18.150 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.187 -18.926 2.401 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.642 -16.662 0.056 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.462 -17.070 -1.333 1.00 0.00 C ATOM 1012 C ASP A 67 -11.116 -16.593 -1.869 1.00 0.00 C ATOM 1013 O ASP A 67 -11.009 -16.176 -3.023 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.595 -16.518 -2.200 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.961 -16.983 -1.732 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.407 -18.058 -2.182 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.583 -16.270 -0.917 1.00 0.00 O ATOM 0 H ASP A 67 -13.190 -15.810 0.177 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.483 -18.159 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.561 -15.429 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.443 -16.829 -3.233 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.092 -16.658 -1.026 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.753 -16.233 -1.415 1.00 0.00 C ATOM 1024 C ASP A 68 -8.798 -14.894 -2.145 1.00 0.00 C ATOM 1025 O ASP A 68 -7.918 -14.582 -2.947 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.097 -17.290 -2.304 1.00 0.00 C ATOM 1027 CG ASP A 68 -8.295 -18.697 -1.773 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -8.024 -18.922 -0.574 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -8.720 -19.572 -2.555 1.00 0.00 O ATOM 0 H ASP A 68 -10.164 -17.001 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.160 -16.113 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.511 -17.223 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.030 -17.082 -2.384 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.830 -14.106 -1.861 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.991 -12.800 -2.489 1.00 0.00 C ATOM 1036 C LYS A 69 -9.023 -11.785 -1.890 1.00 0.00 C ATOM 1037 O LYS A 69 -8.198 -12.124 -1.042 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.430 -12.307 -2.325 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.467 -13.252 -2.907 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.760 -12.930 -4.363 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.489 -14.074 -5.051 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.967 -13.950 -4.918 1.00 0.00 N ATOM 0 H LYS A 69 -10.567 -14.349 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.768 -12.905 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.637 -12.162 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.528 -11.333 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.111 -14.279 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.387 -13.186 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.364 -12.025 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.826 -12.725 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.220 -14.093 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.164 -15.022 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.427 -14.748 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.227 -13.957 -3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.281 -13.058 -5.350 1.00 0.00 H new ATOM 1056 N PHE A 70 -9.131 -10.537 -2.336 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.265 -9.472 -1.843 1.00 0.00 C ATOM 1058 C PHE A 70 -9.089 -8.291 -1.340 1.00 0.00 C ATOM 1059 O PHE A 70 -9.975 -7.795 -2.036 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.310 -9.010 -2.946 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.207 -9.988 -3.233 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.007 -9.920 -2.544 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.371 -10.976 -4.190 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.990 -10.819 -2.807 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.358 -11.878 -4.456 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.166 -11.799 -3.763 1.00 0.00 C ATOM 0 H PHE A 70 -9.809 -10.239 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.683 -9.867 -1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.879 -8.838 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.872 -8.054 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.864 -9.157 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.301 -11.042 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.058 -10.754 -2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.498 -12.644 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.373 -12.503 -3.969 1.00 0.00 H new ATOM 1076 N THR A 71 -8.791 -7.844 -0.124 1.00 0.00 N ATOM 1077 CA THR A 71 -9.504 -6.722 0.475 1.00 0.00 C ATOM 1078 C THR A 71 -8.701 -6.105 1.614 1.00 0.00 C ATOM 1079 O THR A 71 -8.008 -6.807 2.350 1.00 0.00 O ATOM 1080 CB THR A 71 -10.883 -7.153 1.008 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.753 -6.019 1.092 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.754 -7.802 2.378 1.00 0.00 C ATOM 0 H THR A 71 -8.060 -8.242 0.466 1.00 0.00 H new ATOM 0 HA THR A 71 -9.643 -5.980 -0.311 1.00 0.00 H new ATOM 0 HB THR A 71 -11.304 -7.882 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.595 -6.218 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.740 -8.098 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.115 -8.682 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.314 -7.091 3.077 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.800 -4.787 1.755 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.084 -4.075 2.807 1.00 0.00 C ATOM 1092 C VAL A 72 -8.818 -4.178 4.139 1.00 0.00 C ATOM 1093 O VAL A 72 -9.845 -3.532 4.344 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.896 -2.588 2.451 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.104 -1.875 3.536 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.211 -2.446 1.100 1.00 0.00 C ATOM 0 H VAL A 72 -9.369 -4.191 1.154 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.105 -4.546 2.898 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.879 -2.121 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.981 -0.826 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.639 -1.947 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.124 -2.341 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.086 -1.389 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.234 -2.928 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.821 -2.919 0.331 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.284 -4.995 5.041 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.889 -5.183 6.354 1.00 0.00 C ATOM 1108 C GLN A 73 -8.614 -3.986 7.257 1.00 0.00 C ATOM 1109 O GLN A 73 -8.180 -4.143 8.398 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.358 -6.461 7.006 1.00 0.00 C ATOM 1111 CG GLN A 73 -6.844 -6.492 7.139 1.00 0.00 C ATOM 1112 CD GLN A 73 -6.362 -5.922 8.458 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -6.923 -6.212 9.515 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -5.317 -5.104 8.404 1.00 0.00 N ATOM 0 H GLN A 73 -7.434 -5.537 4.887 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.967 -5.273 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.804 -6.567 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.680 -7.320 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.496 -7.520 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.400 -5.927 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.882 -4.891 7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.949 -4.689 9.260 1.00 0.00 H new ATOM 1123 N ALA A 74 -8.870 -2.789 6.739 1.00 0.00 N ATOM 1124 CA ALA A 74 -8.651 -1.565 7.499 1.00 0.00 C ATOM 1125 C ALA A 74 -9.374 -1.615 8.841 1.00 0.00 C ATOM 1126 O ALA A 74 -8.809 -1.259 9.874 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.109 -0.356 6.696 1.00 0.00 C ATOM 0 H ALA A 74 -9.229 -2.641 5.796 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.582 -1.475 7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.940 0.551 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.545 -0.302 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.171 -0.450 6.471 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.929 -5.218 0.782 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.832 -5.479 -0.649 1.00 0.00 C ATOM 1212 C ARG A 81 -14.626 -6.360 -0.961 1.00 0.00 C ATOM 1213 O ARG A 81 -13.483 -5.976 -0.714 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.730 -4.163 -1.423 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.077 -3.592 -1.835 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.593 -4.245 -3.108 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.407 -5.425 -2.826 1.00 0.00 N ATOM 1218 CZ ARG A 81 -18.507 -6.462 -3.650 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -17.847 -6.466 -4.800 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -19.268 -7.499 -3.323 1.00 0.00 N ATOM 0 HA ARG A 81 -16.734 -6.006 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.207 -3.430 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.124 -4.322 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.798 -3.740 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.986 -2.517 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.184 -3.523 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.750 -4.528 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.927 -5.454 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.260 -5.671 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.926 -7.264 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.776 -7.500 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.345 -8.295 -3.956 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.889 -7.543 -1.505 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.826 -8.480 -1.849 1.00 0.00 C ATOM 1236 C PHE A 82 -13.526 -8.437 -3.345 1.00 0.00 C ATOM 1237 O PHE A 82 -14.407 -8.671 -4.173 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.216 -9.901 -1.437 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.735 -9.996 -0.030 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -13.871 -9.895 1.049 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -16.085 -10.186 0.213 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -14.345 -9.982 2.344 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.565 -10.273 1.506 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.694 -10.172 2.573 1.00 0.00 C ATOM 0 H PHE A 82 -15.829 -7.876 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.927 -8.186 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.977 -10.274 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.348 -10.552 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.815 -9.747 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.771 -10.267 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.662 -9.902 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.620 -10.420 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.067 -10.241 3.584 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.277 -8.135 -3.683 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.861 -8.059 -5.079 1.00 0.00 C ATOM 1256 C PHE A 83 -10.891 -9.187 -5.419 1.00 0.00 C ATOM 1257 O PHE A 83 -9.859 -9.353 -4.768 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.206 -6.706 -5.364 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.960 -5.541 -4.789 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.776 -5.164 -3.469 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.854 -4.825 -5.568 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.468 -4.093 -2.936 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.549 -3.753 -5.041 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.357 -3.387 -3.723 1.00 0.00 C ATOM 0 H PHE A 83 -11.536 -7.939 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.748 -8.165 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.194 -6.709 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.117 -6.574 -6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.083 -5.714 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.010 -5.108 -6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.314 -3.808 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.242 -3.202 -5.659 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.901 -2.551 -3.309 1.00 0.00 H new ATOM 1274 N THR A 84 -11.231 -9.962 -6.444 1.00 0.00 N ATOM 1275 CA THR A 84 -10.394 -11.076 -6.871 1.00 0.00 C ATOM 1276 C THR A 84 -9.084 -10.580 -7.473 1.00 0.00 C ATOM 1277 O THR A 84 -8.007 -11.066 -7.128 1.00 0.00 O ATOM 1278 CB THR A 84 -11.118 -11.960 -7.904 1.00 0.00 C ATOM 1279 OG1 THR A 84 -12.394 -12.365 -7.394 1.00 0.00 O ATOM 1280 CG2 THR A 84 -10.288 -13.190 -8.240 1.00 0.00 C ATOM 0 H THR A 84 -12.081 -9.838 -6.994 1.00 0.00 H new ATOM 0 HA THR A 84 -10.181 -11.670 -5.982 1.00 0.00 H new ATOM 0 HB THR A 84 -11.259 -11.376 -8.814 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.849 -12.925 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.820 -13.799 -8.971 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.329 -12.880 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.120 -13.774 -7.335 1.00 0.00 H new ATOM 1288 N LYS A 85 -9.183 -9.609 -8.374 1.00 0.00 N ATOM 1289 CA LYS A 85 -8.006 -9.045 -9.024 1.00 0.00 C ATOM 1290 C LYS A 85 -7.426 -7.900 -8.200 1.00 0.00 C ATOM 1291 O LYS A 85 -8.123 -6.935 -7.882 1.00 0.00 O ATOM 1292 CB LYS A 85 -8.362 -8.548 -10.427 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.936 -9.628 -11.327 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.839 -10.426 -12.011 1.00 0.00 C ATOM 1295 CE LYS A 85 -8.385 -11.697 -12.643 1.00 0.00 C ATOM 1296 NZ LYS A 85 -8.831 -11.472 -14.046 1.00 0.00 N ATOM 0 H LYS A 85 -10.067 -9.196 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.254 -9.830 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.083 -7.735 -10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.468 -8.134 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.562 -10.299 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.579 -9.172 -12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.365 -9.812 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.067 -10.682 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.617 -12.470 -12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.222 -12.066 -12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.196 -12.362 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.582 -10.753 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.027 -11.144 -14.618 1.00 0.00 H new ATOM 1310 N LEU A 86 -6.148 -8.012 -7.857 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.473 -6.985 -7.071 1.00 0.00 C ATOM 1312 C LEU A 86 -5.677 -5.605 -7.688 1.00 0.00 C ATOM 1313 O LEU A 86 -6.088 -4.665 -7.007 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.978 -7.294 -6.967 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.278 -6.802 -5.701 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.530 -5.317 -5.493 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.743 -7.598 -4.490 1.00 0.00 C ATOM 0 H LEU A 86 -5.558 -8.804 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.908 -6.984 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.845 -8.374 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.476 -6.856 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.205 -6.954 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.023 -4.985 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.146 -4.760 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.601 -5.140 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.234 -7.234 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.820 -7.479 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.509 -8.653 -4.636 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.391 -5.492 -8.980 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.546 -4.228 -9.690 1.00 0.00 C ATOM 1331 C ASP A 87 -6.930 -3.633 -9.445 1.00 0.00 C ATOM 1332 O ASP A 87 -7.058 -2.460 -9.096 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.323 -4.430 -11.189 1.00 0.00 C ATOM 1334 CG ASP A 87 -4.238 -5.448 -11.481 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -3.062 -5.170 -11.165 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -4.565 -6.523 -12.025 1.00 0.00 O ATOM 0 H ASP A 87 -5.050 -6.261 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.798 -3.532 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.255 -4.754 -11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.055 -3.477 -11.645 1.00 0.00 H new ATOM 1341 N GLN A 88 -7.961 -4.451 -9.631 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.334 -4.005 -9.431 1.00 0.00 C ATOM 1343 C GLN A 88 -9.484 -3.282 -8.096 1.00 0.00 C ATOM 1344 O GLN A 88 -9.937 -2.138 -8.045 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.293 -5.195 -9.491 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.406 -5.817 -10.873 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.273 -5.001 -11.811 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.179 -4.289 -11.377 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -11.000 -5.100 -13.107 1.00 0.00 N ATOM 0 H GLN A 88 -7.871 -5.425 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.582 -3.307 -10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.959 -5.956 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.282 -4.871 -9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.410 -5.921 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.820 -6.821 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.240 -5.702 -13.424 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.550 -4.574 -13.786 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.101 -3.958 -7.018 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.192 -3.380 -5.681 1.00 0.00 C ATOM 1360 C LEU A 89 -8.689 -1.940 -5.675 1.00 0.00 C ATOM 1361 O LEU A 89 -9.378 -1.035 -5.203 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.388 -4.218 -4.686 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.296 -3.666 -3.263 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.062 -4.792 -2.268 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.190 -2.626 -3.165 1.00 0.00 C ATOM 0 H LEU A 89 -8.725 -4.906 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.240 -3.380 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.829 -5.214 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.376 -4.335 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.243 -3.184 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.999 -4.380 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.889 -5.501 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.130 -5.303 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.139 -2.244 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.236 -3.083 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.401 -1.805 -3.850 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.487 -1.737 -6.202 1.00 0.00 N ATOM 1378 CA ILE A 90 -6.894 -0.406 -6.260 1.00 0.00 C ATOM 1379 C ILE A 90 -7.842 0.590 -6.918 1.00 0.00 C ATOM 1380 O ILE A 90 -8.253 1.572 -6.299 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.562 -0.417 -7.032 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.559 -1.351 -6.350 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -4.997 0.992 -7.133 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.267 -0.978 -4.913 1.00 0.00 C ATOM 0 H ILE A 90 -6.904 -2.476 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.706 -0.099 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.747 -0.787 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.944 -2.370 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.627 -1.345 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.055 0.968 -7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.706 1.632 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.824 1.387 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.549 -1.682 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.852 0.029 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.190 -1.012 -4.334 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.187 0.329 -8.175 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.088 1.204 -8.916 1.00 0.00 C ATOM 1398 C GLU A 91 -10.322 1.545 -8.085 1.00 0.00 C ATOM 1399 O GLU A 91 -10.759 2.695 -8.045 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.512 0.542 -10.229 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.432 0.565 -11.298 1.00 0.00 C ATOM 1402 CD GLU A 91 -8.875 -0.098 -12.588 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -9.783 -0.953 -12.534 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -8.313 0.239 -13.652 1.00 0.00 O ATOM 0 H GLU A 91 -7.857 -0.480 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.554 2.128 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.793 -0.492 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.400 1.046 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.150 1.598 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.542 0.061 -10.921 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.879 0.536 -7.423 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.063 0.728 -6.593 1.00 0.00 C ATOM 1413 C PHE A 92 -11.824 1.812 -5.546 1.00 0.00 C ATOM 1414 O PHE A 92 -12.714 2.609 -5.248 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.448 -0.584 -5.907 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.661 -0.468 -5.028 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -13.554 0.032 -3.740 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -14.907 -0.857 -5.491 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -14.669 0.140 -2.930 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -16.025 -0.752 -4.685 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.906 -0.251 -3.403 1.00 0.00 C ATOM 0 H PHE A 92 -10.530 -0.422 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.881 1.046 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.632 -1.342 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.607 -0.932 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -12.589 0.341 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.006 -1.247 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.573 0.530 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.991 -1.061 -5.057 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.778 -0.165 -2.772 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.617 1.834 -4.992 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.261 2.818 -3.976 1.00 0.00 C ATOM 1433 C TYR A 93 -9.767 4.111 -4.619 1.00 0.00 C ATOM 1434 O TYR A 93 -8.809 4.725 -4.150 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.186 2.255 -3.045 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.729 1.320 -1.988 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.339 1.816 -0.842 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.631 -0.058 -2.134 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.836 0.967 0.127 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.126 -0.915 -1.170 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.728 -0.398 -0.042 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.221 -1.249 0.921 1.00 0.00 O ATOM 0 H TYR A 93 -9.869 1.182 -5.229 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.155 3.041 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.443 1.724 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.671 3.082 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.426 2.884 -0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.160 -0.466 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.307 1.369 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.042 -1.984 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.066 -2.177 0.648 1.00 0.00 H new ATOM 1452 N LYS A 94 -10.430 4.519 -5.696 1.00 0.00 N ATOM 1453 CA LYS A 94 -10.062 5.739 -6.404 1.00 0.00 C ATOM 1454 C LYS A 94 -10.991 6.888 -6.026 1.00 0.00 C ATOM 1455 O LYS A 94 -10.561 8.037 -5.914 1.00 0.00 O ATOM 1456 CB LYS A 94 -10.108 5.509 -7.916 1.00 0.00 C ATOM 1457 CG LYS A 94 -9.013 4.588 -8.425 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.769 5.366 -8.820 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.734 4.466 -9.478 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.427 5.159 -9.652 1.00 0.00 N ATOM 0 H LYS A 94 -11.225 4.022 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.046 6.006 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.078 5.088 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.028 6.470 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.759 3.862 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.379 4.025 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.043 6.169 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.336 5.835 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.593 3.571 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.103 4.138 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.749 4.513 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.557 5.999 -10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.062 5.450 -8.723 1.00 0.00 H new ATOM 1474 N LYS A 95 -12.266 6.572 -5.827 1.00 0.00 N ATOM 1475 CA LYS A 95 -13.256 7.577 -5.459 1.00 0.00 C ATOM 1476 C LYS A 95 -12.915 8.207 -4.112 1.00 0.00 C ATOM 1477 O LYS A 95 -12.133 7.656 -3.339 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.651 6.952 -5.403 1.00 0.00 C ATOM 1479 CG LYS A 95 -15.307 6.806 -6.765 1.00 0.00 C ATOM 1480 CD LYS A 95 -16.493 5.857 -6.714 1.00 0.00 C ATOM 1481 CE LYS A 95 -17.130 5.687 -8.085 1.00 0.00 C ATOM 1482 NZ LYS A 95 -16.475 4.603 -8.869 1.00 0.00 N ATOM 0 H LYS A 95 -12.638 5.626 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 95 -13.245 8.358 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.581 5.970 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -15.289 7.564 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.637 7.783 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -14.576 6.438 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.168 4.886 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.235 6.237 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.190 5.461 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.063 6.625 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.937 4.518 -9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.469 4.831 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.561 3.703 -8.356 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.953 5.937 1.094 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.697 5.827 1.828 1.00 0.00 C ATOM 1551 C LEU A 100 -8.240 7.191 2.333 1.00 0.00 C ATOM 1552 O LEU A 100 -8.816 8.220 1.982 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.616 5.211 0.938 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.765 3.719 0.636 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.808 3.301 -0.470 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.524 2.894 1.892 1.00 0.00 C ATOM 0 HA LEU A 100 -8.863 5.179 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.600 5.753 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.648 5.370 1.413 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.784 3.536 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.928 2.237 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.027 3.869 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.782 3.498 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.634 1.835 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.516 3.081 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.249 3.174 2.656 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.198 7.192 3.159 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.661 8.429 3.711 1.00 0.00 C ATOM 1570 C VAL A 101 -6.676 9.546 2.673 1.00 0.00 C ATOM 1571 O VAL A 101 -6.739 10.727 3.015 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.220 8.238 4.221 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.316 7.752 3.098 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.691 9.532 4.820 1.00 0.00 C ATOM 0 H VAL A 101 -6.709 6.349 3.460 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.301 8.705 4.549 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.228 7.479 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.302 7.623 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.686 6.799 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.311 8.485 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.672 9.379 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.697 10.314 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.325 9.832 5.654 1.00 0.00 H new ATOM 1584 N THR A 102 -6.619 9.164 1.401 1.00 0.00 N ATOM 1585 CA THR A 102 -6.625 10.133 0.311 1.00 0.00 C ATOM 1586 C THR A 102 -6.894 9.453 -1.027 1.00 0.00 C ATOM 1587 O THR A 102 -6.315 8.410 -1.332 1.00 0.00 O ATOM 1588 CB THR A 102 -5.289 10.894 0.229 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.327 11.834 -0.851 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.128 9.931 0.030 1.00 0.00 C ATOM 0 H THR A 102 -6.568 8.191 1.100 1.00 0.00 H new ATOM 0 HA THR A 102 -7.425 10.842 0.522 1.00 0.00 H new ATOM 0 HB THR A 102 -5.141 11.426 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.475 12.315 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.195 10.492 -0.025 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.084 9.236 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.272 9.374 -0.896 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.775 10.051 -1.823 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.118 9.503 -3.130 1.00 0.00 C ATOM 1600 C HIS A 103 -6.869 9.309 -3.984 1.00 0.00 C ATOM 1601 O HIS A 103 -6.146 10.264 -4.270 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.104 10.425 -3.849 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.562 11.798 -4.106 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.447 12.871 -3.289 1.00 0.00 N flip ATOM 1605 CD2 HIS A 103 -8.060 12.193 -5.328 1.00 0.00 C flip ATOM 1606 CE1 HIS A 103 -7.882 13.884 -4.024 1.00 0.00 C flip ATOM 1607 NE2 HIS A 103 -7.658 13.449 -5.251 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.264 10.914 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.586 8.530 -2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.387 9.971 -4.799 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.013 10.508 -3.252 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -8.728 12.918 -2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.004 11.573 -6.210 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.657 14.875 -3.658 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.620 8.068 -4.386 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.457 7.748 -5.207 1.00 0.00 C ATOM 1618 C LEU A 104 -5.419 8.618 -6.459 1.00 0.00 C ATOM 1619 O LEU A 104 -6.434 8.801 -7.130 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.476 6.270 -5.599 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.564 5.270 -4.445 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.700 3.852 -4.977 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.343 5.389 -3.543 1.00 0.00 C ATOM 0 H LEU A 104 -7.208 7.266 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.561 7.950 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.323 6.102 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.574 6.055 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.451 5.501 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.761 3.154 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.604 3.775 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.832 3.609 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.422 4.670 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.442 5.184 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.290 6.398 -3.134 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.240 9.150 -6.768 1.00 0.00 N ATOM 1636 CA GLN A 105 -4.070 9.999 -7.941 1.00 0.00 C ATOM 1637 C GLN A 105 -2.828 9.596 -8.729 1.00 0.00 C ATOM 1638 O GLN A 105 -2.891 9.384 -9.940 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.969 11.467 -7.523 1.00 0.00 C ATOM 1640 CG GLN A 105 -5.231 12.000 -6.865 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.963 13.199 -5.976 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -4.857 12.958 -4.674 1.00 0.00 O flip ATOM 1643 NE2 GLN A 105 -4.854 14.328 -6.453 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.390 9.008 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.942 9.870 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.133 11.583 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.744 12.072 -8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.949 12.278 -7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.690 11.208 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.943 14.467 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.675 15.125 -5.842 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.700 9.491 -8.034 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.443 9.116 -8.670 1.00 0.00 C ATOM 1654 C TYR A 106 0.098 7.817 -8.082 1.00 0.00 C ATOM 1655 O TYR A 106 0.703 7.795 -7.009 1.00 0.00 O ATOM 1656 CB TYR A 106 0.589 10.233 -8.504 1.00 0.00 C ATOM 1657 CG TYR A 106 0.010 11.621 -8.657 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.756 11.957 -9.766 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.227 12.596 -7.691 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.287 13.224 -9.910 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.301 13.865 -7.826 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.057 14.175 -8.938 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.585 15.438 -9.077 1.00 0.00 O ATOM 0 H TYR A 106 -1.631 9.660 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.634 8.961 -9.732 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.049 10.147 -7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.381 10.096 -9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.940 11.215 -10.529 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.819 12.357 -6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.879 13.469 -10.779 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.123 14.611 -7.065 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.330 15.986 -8.305 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.123 6.706 -8.800 1.00 0.00 N ATOM 1674 CA PRO A 107 0.335 5.381 -8.371 1.00 0.00 C ATOM 1675 C PRO A 107 1.852 5.242 -8.440 1.00 0.00 C ATOM 1676 O PRO A 107 2.399 4.791 -9.447 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.335 4.434 -9.369 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.566 5.265 -10.584 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.837 6.658 -10.087 1.00 0.00 C ATOM 0 HA PRO A 107 0.078 5.178 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.302 3.577 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.272 4.041 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.304 5.247 -11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.409 4.886 -11.162 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.465 7.412 -10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.904 6.839 -9.961 1.00 0.00 H new ATOM 1687 N VAL A 108 2.527 5.630 -7.363 1.00 0.00 N ATOM 1688 CA VAL A 108 3.981 5.547 -7.301 1.00 0.00 C ATOM 1689 C VAL A 108 4.493 4.315 -8.040 1.00 0.00 C ATOM 1690 O VAL A 108 4.503 3.203 -7.511 1.00 0.00 O ATOM 1691 CB VAL A 108 4.479 5.502 -5.844 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.993 5.364 -5.801 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.027 6.742 -5.088 1.00 0.00 C ATOM 0 H VAL A 108 2.090 6.005 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 108 4.370 6.444 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 108 4.045 4.629 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.326 5.334 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.289 4.443 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.450 6.216 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.388 6.693 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.431 7.631 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.938 6.792 -5.088 1.00 0.00 H new ATOM 1703 N PRO A 109 4.929 4.515 -9.292 1.00 0.00 N ATOM 1704 CA PRO A 109 5.451 3.433 -10.131 1.00 0.00 C ATOM 1705 C PRO A 109 6.800 2.918 -9.640 1.00 0.00 C ATOM 1706 O PRO A 109 7.495 3.595 -8.881 1.00 0.00 O ATOM 1707 CB PRO A 109 5.599 4.089 -11.506 1.00 0.00 C ATOM 1708 CG PRO A 109 5.764 5.541 -11.217 1.00 0.00 C ATOM 1709 CD PRO A 109 4.946 5.814 -9.986 1.00 0.00 C ATOM 0 HA PRO A 109 4.795 2.563 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.460 3.692 -12.043 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.723 3.906 -12.128 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.812 5.789 -11.052 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.421 6.147 -12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.395 6.593 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.940 6.148 -10.238 1.00 0.00 H new ATOM 1717 N LEU A 110 7.165 1.717 -10.076 1.00 0.00 N ATOM 1718 CA LEU A 110 8.431 1.112 -9.681 1.00 0.00 C ATOM 1719 C LEU A 110 9.588 2.083 -9.890 1.00 0.00 C ATOM 1720 O LEU A 110 9.431 3.120 -10.534 1.00 0.00 O ATOM 1721 CB LEU A 110 8.677 -0.171 -10.478 1.00 0.00 C ATOM 1722 CG LEU A 110 7.516 -1.166 -10.522 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.829 -2.309 -11.475 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.216 -1.698 -9.128 1.00 0.00 C ATOM 0 H LEU A 110 6.601 1.143 -10.703 1.00 0.00 H new ATOM 0 HA LEU A 110 8.373 0.868 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.933 0.104 -11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.546 -0.676 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 110 6.631 -0.646 -10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.992 -3.007 -11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.993 -1.913 -12.477 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.727 -2.828 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.387 -2.404 -9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.098 -2.201 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.947 -0.870 -8.473 1.00 0.00 H new