USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS :FLIP no HD1:sc= -0.515 F(o=-1.1,f=-0.52) USER MOD Set 2.1: A 14 HIS :FLIP no HE2:sc= -4.62! C(o=-8!,f=-4.6!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -171:sc=-0.00695 (180deg=-0.109) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.654! F(o=-1.2,f=-0.65!) USER MOD Single : A 16 ASN : amide:sc= -0.361 K(o=-0.36,f=-1.9) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 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 50 CYS SG : rot -160:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0066) 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 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.95) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) 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 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.92 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.000936) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.82) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.159 -1.076 -12.264 1.00 0.00 N ATOM 114 CA CYS A 11 3.395 -0.414 -11.864 1.00 0.00 C ATOM 115 C CYS A 11 3.350 -0.020 -10.391 1.00 0.00 C ATOM 116 O CYS A 11 4.354 0.404 -9.820 1.00 0.00 O ATOM 117 CB CYS A 11 3.638 0.824 -12.728 1.00 0.00 C ATOM 118 SG CYS A 11 2.298 2.037 -12.673 1.00 0.00 S ATOM 0 HA CYS A 11 4.216 -1.116 -12.008 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.562 1.304 -12.405 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.787 0.510 -13.761 1.00 0.00 H new ATOM 0 HG CYS A 11 2.596 3.048 -13.434 1.00 0.00 H new ATOM 124 N TRP A 12 2.178 -0.163 -9.783 1.00 0.00 N ATOM 125 CA TRP A 12 2.001 0.179 -8.376 1.00 0.00 C ATOM 126 C TRP A 12 2.192 -1.046 -7.489 1.00 0.00 C ATOM 127 O TRP A 12 1.914 -1.006 -6.291 1.00 0.00 O ATOM 128 CB TRP A 12 0.612 0.778 -8.146 1.00 0.00 C ATOM 129 CG TRP A 12 -0.461 0.116 -8.957 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.070 0.615 -10.073 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.053 -1.165 -8.713 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.005 -0.279 -10.537 1.00 0.00 N ATOM 133 CE2 TRP A 12 -2.013 -1.379 -9.721 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.864 -2.152 -7.742 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.781 -2.539 -9.783 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.627 -3.302 -7.805 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.575 -3.489 -8.819 1.00 0.00 C ATOM 0 H TRP A 12 1.337 -0.513 -10.241 1.00 0.00 H new ATOM 0 HA TRP A 12 2.757 0.918 -8.110 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.360 0.698 -7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.637 1.840 -8.388 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.849 1.571 -10.524 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.597 -0.145 -11.357 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.135 -2.018 -6.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.513 -2.684 -10.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.490 -4.071 -7.059 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.155 -4.400 -8.841 1.00 0.00 H new ATOM 148 N ASN A 13 2.669 -2.134 -8.085 1.00 0.00 N ATOM 149 CA ASN A 13 2.898 -3.372 -7.348 1.00 0.00 C ATOM 150 C ASN A 13 4.370 -3.768 -7.393 1.00 0.00 C ATOM 151 O ASN A 13 4.785 -4.565 -8.234 1.00 0.00 O ATOM 152 CB ASN A 13 2.038 -4.499 -7.924 1.00 0.00 C ATOM 153 CG ASN A 13 2.278 -5.823 -7.225 1.00 0.00 C ATOM 154 OD1 ASN A 13 1.250 -6.334 -6.556 1.00 0.00 O flip ATOM 155 ND2 ASN A 13 3.373 -6.381 -7.287 1.00 0.00 N flip ATOM 0 H ASN A 13 2.905 -2.184 -9.076 1.00 0.00 H new ATOM 0 HA ASN A 13 2.617 -3.204 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.985 -4.230 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.252 -4.608 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.135 -5.952 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.519 -7.272 -6.813 1.00 0.00 H new ATOM 162 N HIS A 14 5.157 -3.204 -6.480 1.00 0.00 N ATOM 163 CA HIS A 14 6.584 -3.499 -6.414 1.00 0.00 C ATOM 164 C HIS A 14 6.820 -4.965 -6.062 1.00 0.00 C ATOM 165 O HIS A 14 7.390 -5.719 -6.849 1.00 0.00 O ATOM 166 CB HIS A 14 7.265 -2.599 -5.384 1.00 0.00 C ATOM 167 CG HIS A 14 7.278 -1.151 -5.769 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.276 -0.329 -6.157 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.426 -0.387 -5.783 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 6.830 0.905 -6.396 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.129 0.843 -6.162 1.00 0.00 N flip ATOM 0 H HIS A 14 4.830 -2.541 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 14 7.016 -3.305 -7.396 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.756 -2.707 -4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.291 -2.937 -5.240 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.292 -0.579 -6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.414 -0.739 -5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.292 1.783 -6.722 1.00 0.00 H new ATOM 180 N GLY A 15 6.378 -5.361 -4.872 1.00 0.00 N ATOM 181 CA GLY A 15 6.552 -6.735 -4.436 1.00 0.00 C ATOM 182 C GLY A 15 7.220 -6.832 -3.079 1.00 0.00 C ATOM 183 O GLY A 15 6.967 -6.015 -2.195 1.00 0.00 O ATOM 0 H GLY A 15 5.903 -4.756 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.580 -7.226 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.150 -7.273 -5.171 1.00 0.00 H new ATOM 187 N ASN A 16 8.075 -7.836 -2.913 1.00 0.00 N ATOM 188 CA ASN A 16 8.781 -8.038 -1.653 1.00 0.00 C ATOM 189 C ASN A 16 9.909 -7.024 -1.492 1.00 0.00 C ATOM 190 O ASN A 16 11.000 -7.203 -2.032 1.00 0.00 O ATOM 191 CB ASN A 16 9.344 -9.459 -1.582 1.00 0.00 C ATOM 192 CG ASN A 16 10.173 -9.691 -0.334 1.00 0.00 C ATOM 193 OD1 ASN A 16 10.124 -8.906 0.612 1.00 0.00 O ATOM 194 ND2 ASN A 16 10.941 -10.775 -0.327 1.00 0.00 N ATOM 0 H ASN A 16 8.296 -8.522 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 16 8.069 -7.895 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.522 -10.174 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.958 -9.648 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.521 -10.984 0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.950 -11.399 -1.134 1.00 0.00 H new ATOM 201 N ILE A 17 9.637 -5.959 -0.744 1.00 0.00 N ATOM 202 CA ILE A 17 10.630 -4.918 -0.510 1.00 0.00 C ATOM 203 C ILE A 17 10.653 -4.500 0.956 1.00 0.00 C ATOM 204 O ILE A 17 9.659 -4.637 1.669 1.00 0.00 O ATOM 205 CB ILE A 17 10.359 -3.677 -1.381 1.00 0.00 C ATOM 206 CG1 ILE A 17 9.051 -3.004 -0.957 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.310 -4.062 -2.852 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.833 -1.651 -1.597 1.00 0.00 C ATOM 0 H ILE A 17 8.738 -5.795 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 17 11.598 -5.339 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 17 11.174 -2.967 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.216 -3.657 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.045 -2.889 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.118 -3.174 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.264 -4.500 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.513 -4.788 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.888 -1.233 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.648 -0.982 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.806 -1.761 -2.681 1.00 0.00 H new ATOM 220 N THR A 18 11.797 -3.988 1.402 1.00 0.00 N ATOM 221 CA THR A 18 11.951 -3.550 2.783 1.00 0.00 C ATOM 222 C THR A 18 11.052 -2.356 3.084 1.00 0.00 C ATOM 223 O THR A 18 10.563 -1.690 2.172 1.00 0.00 O ATOM 224 CB THR A 18 13.411 -3.170 3.092 1.00 0.00 C ATOM 225 OG1 THR A 18 13.494 -2.550 4.380 1.00 0.00 O ATOM 226 CG2 THR A 18 13.961 -2.226 2.033 1.00 0.00 C ATOM 0 H THR A 18 12.630 -3.867 0.826 1.00 0.00 H new ATOM 0 HA THR A 18 11.660 -4.389 3.415 1.00 0.00 H new ATOM 0 HB THR A 18 14.008 -4.082 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.426 -2.313 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.993 -1.972 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.924 -2.712 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.360 -1.317 2.008 1.00 0.00 H new ATOM 234 N ARG A 19 10.841 -2.090 4.369 1.00 0.00 N ATOM 235 CA ARG A 19 10.000 -0.975 4.790 1.00 0.00 C ATOM 236 C ARG A 19 10.542 0.347 4.254 1.00 0.00 C ATOM 237 O ARG A 19 9.807 1.135 3.660 1.00 0.00 O ATOM 238 CB ARG A 19 9.914 -0.922 6.316 1.00 0.00 C ATOM 239 CG ARG A 19 8.691 -0.181 6.832 1.00 0.00 C ATOM 240 CD ARG A 19 8.599 -0.245 8.349 1.00 0.00 C ATOM 241 NE ARG A 19 9.328 0.848 8.987 1.00 0.00 N ATOM 242 CZ ARG A 19 10.629 0.808 9.251 1.00 0.00 C ATOM 243 NH1 ARG A 19 11.341 -0.263 8.932 1.00 0.00 N ATOM 244 NH2 ARG A 19 11.221 1.843 9.834 1.00 0.00 N ATOM 0 H ARG A 19 11.240 -2.631 5.136 1.00 0.00 H new ATOM 0 HA ARG A 19 9.001 -1.131 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.903 -1.940 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.811 -0.441 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.734 0.860 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.791 -0.612 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.552 -0.208 8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.997 -1.198 8.697 1.00 0.00 H new ATOM 0 HE ARG A 19 8.810 1.688 9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.890 -1.060 8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.340 -0.291 9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.677 2.670 10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.220 1.811 10.036 1.00 0.00 H new ATOM 258 N SER A 20 11.832 0.582 4.469 1.00 0.00 N ATOM 259 CA SER A 20 12.472 1.811 4.012 1.00 0.00 C ATOM 260 C SER A 20 12.156 2.073 2.542 1.00 0.00 C ATOM 261 O SER A 20 11.747 3.172 2.169 1.00 0.00 O ATOM 262 CB SER A 20 13.986 1.728 4.213 1.00 0.00 C ATOM 263 OG SER A 20 14.573 3.017 4.200 1.00 0.00 O ATOM 0 H SER A 20 12.455 -0.062 4.957 1.00 0.00 H new ATOM 0 HA SER A 20 12.079 2.638 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.204 1.235 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.427 1.116 3.427 1.00 0.00 H new ATOM 0 HG SER A 20 15.541 2.937 4.332 1.00 0.00 H new ATOM 269 N LYS A 21 12.349 1.054 1.711 1.00 0.00 N ATOM 270 CA LYS A 21 12.085 1.171 0.282 1.00 0.00 C ATOM 271 C LYS A 21 10.729 1.824 0.031 1.00 0.00 C ATOM 272 O LYS A 21 10.651 2.919 -0.525 1.00 0.00 O ATOM 273 CB LYS A 21 12.128 -0.208 -0.380 1.00 0.00 C ATOM 274 CG LYS A 21 11.808 -0.181 -1.864 1.00 0.00 C ATOM 275 CD LYS A 21 13.047 0.097 -2.698 1.00 0.00 C ATOM 276 CE LYS A 21 12.720 0.151 -4.182 1.00 0.00 C ATOM 277 NZ LYS A 21 12.270 -1.171 -4.699 1.00 0.00 N ATOM 0 H LYS A 21 12.688 0.137 2.003 1.00 0.00 H new ATOM 0 HA LYS A 21 12.859 1.802 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.119 -0.639 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.420 -0.866 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.376 -1.136 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.057 0.584 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.491 1.043 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.791 -0.679 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.941 0.893 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.600 0.477 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.203 -1.134 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.955 -1.903 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.337 -1.400 -4.300 1.00 0.00 H new ATOM 291 N ALA A 22 9.665 1.145 0.446 1.00 0.00 N ATOM 292 CA ALA A 22 8.313 1.661 0.269 1.00 0.00 C ATOM 293 C ALA A 22 8.238 3.141 0.632 1.00 0.00 C ATOM 294 O ALA A 22 7.491 3.902 0.020 1.00 0.00 O ATOM 295 CB ALA A 22 7.328 0.860 1.107 1.00 0.00 C ATOM 0 H ALA A 22 9.713 0.236 0.907 1.00 0.00 H new ATOM 0 HA ALA A 22 8.046 1.558 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.323 1.257 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.353 -0.185 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.602 0.934 2.160 1.00 0.00 H new ATOM 301 N GLU A 23 9.018 3.540 1.632 1.00 0.00 N ATOM 302 CA GLU A 23 9.038 4.928 2.077 1.00 0.00 C ATOM 303 C GLU A 23 9.845 5.796 1.115 1.00 0.00 C ATOM 304 O GLU A 23 9.290 6.637 0.408 1.00 0.00 O ATOM 305 CB GLU A 23 9.626 5.027 3.486 1.00 0.00 C ATOM 306 CG GLU A 23 8.708 4.485 4.568 1.00 0.00 C ATOM 307 CD GLU A 23 9.020 5.056 5.938 1.00 0.00 C ATOM 308 OE1 GLU A 23 10.213 5.289 6.225 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.073 5.269 6.723 1.00 0.00 O ATOM 0 H GLU A 23 9.644 2.922 2.149 1.00 0.00 H new ATOM 0 HA GLU A 23 8.011 5.292 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.570 4.483 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.853 6.071 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.674 4.714 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.795 3.399 4.603 1.00 0.00 H new ATOM 316 N GLU A 24 11.157 5.585 1.095 1.00 0.00 N ATOM 317 CA GLU A 24 12.040 6.349 0.222 1.00 0.00 C ATOM 318 C GLU A 24 11.373 6.618 -1.124 1.00 0.00 C ATOM 319 O GLU A 24 11.602 7.657 -1.746 1.00 0.00 O ATOM 320 CB GLU A 24 13.357 5.600 0.010 1.00 0.00 C ATOM 321 CG GLU A 24 13.330 4.642 -1.169 1.00 0.00 C ATOM 322 CD GLU A 24 14.684 4.016 -1.444 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.578 4.731 -1.942 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.848 2.811 -1.159 1.00 0.00 O ATOM 0 H GLU A 24 11.632 4.892 1.673 1.00 0.00 H new ATOM 0 HA GLU A 24 12.248 7.305 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.157 6.325 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.598 5.042 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.602 3.854 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.993 5.175 -2.058 1.00 0.00 H new ATOM 331 N LEU A 25 10.549 5.676 -1.568 1.00 0.00 N ATOM 332 CA LEU A 25 9.848 5.811 -2.841 1.00 0.00 C ATOM 333 C LEU A 25 8.814 6.930 -2.778 1.00 0.00 C ATOM 334 O LEU A 25 8.731 7.765 -3.680 1.00 0.00 O ATOM 335 CB LEU A 25 9.168 4.492 -3.213 1.00 0.00 C ATOM 336 CG LEU A 25 10.087 3.386 -3.733 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.366 2.047 -3.728 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.585 3.720 -5.132 1.00 0.00 C ATOM 0 H LEU A 25 10.349 4.811 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 25 10.582 6.063 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.642 4.117 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.414 4.697 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 25 10.949 3.314 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.035 1.272 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.059 1.803 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.486 2.105 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.238 2.922 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.735 3.820 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.140 4.658 -5.106 1.00 0.00 H new ATOM 350 N LEU A 26 8.028 6.942 -1.707 1.00 0.00 N ATOM 351 CA LEU A 26 7.000 7.961 -1.524 1.00 0.00 C ATOM 352 C LEU A 26 7.626 9.324 -1.248 1.00 0.00 C ATOM 353 O LEU A 26 7.295 10.314 -1.900 1.00 0.00 O ATOM 354 CB LEU A 26 6.068 7.572 -0.375 1.00 0.00 C ATOM 355 CG LEU A 26 5.295 6.265 -0.550 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.477 5.958 0.695 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.397 6.336 -1.776 1.00 0.00 C ATOM 0 H LEU A 26 8.083 6.258 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 26 6.422 8.028 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.660 7.501 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.350 8.378 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 26 6.013 5.458 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.933 5.024 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.142 5.863 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.768 6.767 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.855 5.397 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.686 7.154 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.006 6.508 -2.664 1.00 0.00 H new ATOM 369 N SER A 27 8.535 9.366 -0.279 1.00 0.00 N ATOM 370 CA SER A 27 9.207 10.608 0.085 1.00 0.00 C ATOM 371 C SER A 27 9.699 11.343 -1.158 1.00 0.00 C ATOM 372 O SER A 27 9.526 12.556 -1.284 1.00 0.00 O ATOM 373 CB SER A 27 10.382 10.321 1.021 1.00 0.00 C ATOM 374 OG SER A 27 11.098 11.507 1.319 1.00 0.00 O ATOM 0 H SER A 27 8.823 8.555 0.268 1.00 0.00 H new ATOM 0 HA SER A 27 8.488 11.244 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.015 9.873 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.051 9.595 0.558 1.00 0.00 H new ATOM 0 HG SER A 27 11.843 11.297 1.920 1.00 0.00 H new ATOM 380 N ARG A 28 10.314 10.600 -2.072 1.00 0.00 N ATOM 381 CA ARG A 28 10.833 11.181 -3.305 1.00 0.00 C ATOM 382 C ARG A 28 9.773 12.037 -3.991 1.00 0.00 C ATOM 383 O ARG A 28 9.879 13.264 -4.031 1.00 0.00 O ATOM 384 CB ARG A 28 11.305 10.077 -4.254 1.00 0.00 C ATOM 385 CG ARG A 28 12.725 9.609 -3.984 1.00 0.00 C ATOM 386 CD ARG A 28 12.982 8.235 -4.585 1.00 0.00 C ATOM 387 NE ARG A 28 14.165 7.599 -4.011 1.00 0.00 N ATOM 388 CZ ARG A 28 15.408 7.995 -4.263 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.629 9.019 -5.075 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.432 7.365 -3.702 1.00 0.00 N ATOM 0 H ARG A 28 10.465 9.595 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 28 11.680 11.818 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.629 9.226 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.239 10.439 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.431 10.327 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.900 9.576 -2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.112 7.599 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.108 8.329 -5.664 1.00 0.00 H new ATOM 0 HE ARG A 28 14.029 6.807 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.844 9.505 -5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.584 9.321 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.265 6.576 -3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.386 7.669 -3.896 1.00 0.00 H new ATOM 404 N THR A 29 8.749 11.383 -4.532 1.00 0.00 N ATOM 405 CA THR A 29 7.671 12.084 -5.218 1.00 0.00 C ATOM 406 C THR A 29 7.241 13.324 -4.443 1.00 0.00 C ATOM 407 O THR A 29 7.295 14.440 -4.959 1.00 0.00 O ATOM 408 CB THR A 29 6.448 11.170 -5.422 1.00 0.00 C ATOM 409 OG1 THR A 29 6.876 9.854 -5.788 1.00 0.00 O ATOM 410 CG2 THR A 29 5.529 11.728 -6.498 1.00 0.00 C ATOM 0 H THR A 29 8.644 10.369 -4.508 1.00 0.00 H new ATOM 0 HA THR A 29 8.058 12.384 -6.192 1.00 0.00 H new ATOM 0 HB THR A 29 5.896 11.124 -4.483 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.093 9.279 -5.914 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.673 11.066 -6.624 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.182 12.718 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.073 11.801 -7.440 1.00 0.00 H new ATOM 418 N GLY A 30 6.815 13.122 -3.200 1.00 0.00 N ATOM 419 CA GLY A 30 6.382 14.234 -2.374 1.00 0.00 C ATOM 420 C GLY A 30 5.102 14.869 -2.880 1.00 0.00 C ATOM 421 O GLY A 30 5.061 16.069 -3.152 1.00 0.00 O ATOM 0 H GLY A 30 6.762 12.208 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.232 13.886 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.169 14.987 -2.342 1.00 0.00 H new ATOM 425 N LYS A 31 4.054 14.062 -3.010 1.00 0.00 N ATOM 426 CA LYS A 31 2.766 14.551 -3.487 1.00 0.00 C ATOM 427 C LYS A 31 1.627 14.006 -2.633 1.00 0.00 C ATOM 428 O LYS A 31 1.616 12.828 -2.274 1.00 0.00 O ATOM 429 CB LYS A 31 2.557 14.152 -4.950 1.00 0.00 C ATOM 430 CG LYS A 31 3.525 14.825 -5.908 1.00 0.00 C ATOM 431 CD LYS A 31 3.350 14.313 -7.328 1.00 0.00 C ATOM 432 CE LYS A 31 4.600 14.547 -8.162 1.00 0.00 C ATOM 433 NZ LYS A 31 4.649 15.929 -8.713 1.00 0.00 N ATOM 0 H LYS A 31 4.072 13.066 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 31 2.766 15.638 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.661 13.071 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.537 14.400 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.368 15.903 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.548 14.645 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.120 13.248 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.501 14.813 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.484 14.369 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.630 13.828 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.516 16.048 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.819 16.091 -9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.646 16.615 -7.931 1.00 0.00 H new ATOM 447 N ASP A 32 0.669 14.869 -2.312 1.00 0.00 N ATOM 448 CA ASP A 32 -0.477 14.473 -1.502 1.00 0.00 C ATOM 449 C ASP A 32 -1.446 13.617 -2.312 1.00 0.00 C ATOM 450 O ASP A 32 -2.384 14.130 -2.921 1.00 0.00 O ATOM 451 CB ASP A 32 -1.198 15.709 -0.961 1.00 0.00 C ATOM 452 CG ASP A 32 -0.236 16.795 -0.524 1.00 0.00 C ATOM 453 OD1 ASP A 32 0.842 16.455 0.007 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.560 17.986 -0.714 1.00 0.00 O ATOM 0 H ASP A 32 0.663 15.847 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.110 13.880 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.862 16.104 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.824 15.420 -0.116 1.00 0.00 H new ATOM 459 N GLY A 33 -1.211 12.308 -2.315 1.00 0.00 N ATOM 460 CA GLY A 33 -2.070 11.402 -3.055 1.00 0.00 C ATOM 461 C GLY A 33 -1.344 10.148 -3.501 1.00 0.00 C ATOM 462 O GLY A 33 -1.973 9.154 -3.863 1.00 0.00 O ATOM 0 H GLY A 33 -0.441 11.859 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.921 11.124 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.469 11.917 -3.929 1.00 0.00 H new ATOM 466 N SER A 34 -0.016 10.195 -3.475 1.00 0.00 N ATOM 467 CA SER A 34 0.797 9.056 -3.885 1.00 0.00 C ATOM 468 C SER A 34 0.363 7.788 -3.155 1.00 0.00 C ATOM 469 O SER A 34 -0.216 7.850 -2.070 1.00 0.00 O ATOM 470 CB SER A 34 2.276 9.333 -3.612 1.00 0.00 C ATOM 471 OG SER A 34 2.812 10.231 -4.569 1.00 0.00 O ATOM 0 H SER A 34 0.520 11.009 -3.174 1.00 0.00 H new ATOM 0 HA SER A 34 0.654 8.906 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.392 9.750 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.835 8.397 -3.634 1.00 0.00 H new ATOM 0 HG SER A 34 3.758 10.393 -4.371 1.00 0.00 H new ATOM 477 N PHE A 35 0.646 6.639 -3.760 1.00 0.00 N ATOM 478 CA PHE A 35 0.284 5.355 -3.169 1.00 0.00 C ATOM 479 C PHE A 35 0.949 4.205 -3.919 1.00 0.00 C ATOM 480 O PHE A 35 1.329 4.344 -5.083 1.00 0.00 O ATOM 481 CB PHE A 35 -1.235 5.175 -3.179 1.00 0.00 C ATOM 482 CG PHE A 35 -1.771 4.678 -4.492 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.888 5.533 -5.575 1.00 0.00 C ATOM 484 CD2 PHE A 35 -2.158 3.356 -4.641 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.381 5.079 -6.785 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.651 2.897 -5.847 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.763 3.759 -6.920 1.00 0.00 C ATOM 0 H PHE A 35 1.124 6.570 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 35 0.637 5.345 -2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.515 4.474 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.707 6.128 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.591 6.566 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.073 2.677 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.467 5.756 -7.622 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.949 1.864 -5.951 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.149 3.401 -7.863 1.00 0.00 H new ATOM 497 N LEU A 36 1.088 3.069 -3.245 1.00 0.00 N ATOM 498 CA LEU A 36 1.707 1.893 -3.847 1.00 0.00 C ATOM 499 C LEU A 36 1.297 0.623 -3.108 1.00 0.00 C ATOM 500 O LEU A 36 0.534 0.673 -2.143 1.00 0.00 O ATOM 501 CB LEU A 36 3.230 2.033 -3.836 1.00 0.00 C ATOM 502 CG LEU A 36 3.896 2.019 -2.459 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.069 0.592 -1.964 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.238 2.735 -2.508 1.00 0.00 C ATOM 0 H LEU A 36 0.781 2.937 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 36 1.362 1.819 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.653 1.223 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.493 2.966 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 36 3.250 2.549 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.544 0.602 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.093 0.112 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.694 0.037 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.697 2.715 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.892 2.234 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.087 3.769 -2.817 1.00 0.00 H new ATOM 516 N VAL A 37 1.809 -0.514 -3.567 1.00 0.00 N ATOM 517 CA VAL A 37 1.499 -1.797 -2.948 1.00 0.00 C ATOM 518 C VAL A 37 2.751 -2.655 -2.803 1.00 0.00 C ATOM 519 O VAL A 37 3.614 -2.665 -3.681 1.00 0.00 O ATOM 520 CB VAL A 37 0.449 -2.575 -3.764 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.053 -3.855 -3.044 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.770 -1.704 -4.030 1.00 0.00 C ATOM 0 H VAL A 37 2.441 -0.573 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 37 1.094 -1.581 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 37 0.889 -2.848 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.689 -4.391 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.933 -4.484 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.369 -3.609 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.502 -2.269 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.213 -1.399 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.470 -0.819 -4.591 1.00 0.00 H new ATOM 532 N ARG A 38 2.843 -3.374 -1.690 1.00 0.00 N ATOM 533 CA ARG A 38 3.990 -4.236 -1.429 1.00 0.00 C ATOM 534 C ARG A 38 3.568 -5.486 -0.664 1.00 0.00 C ATOM 535 O ARG A 38 2.415 -5.617 -0.255 1.00 0.00 O ATOM 536 CB ARG A 38 5.056 -3.475 -0.637 1.00 0.00 C ATOM 537 CG ARG A 38 4.524 -2.819 0.626 1.00 0.00 C ATOM 538 CD ARG A 38 5.609 -2.684 1.683 1.00 0.00 C ATOM 539 NE ARG A 38 6.028 -3.981 2.207 1.00 0.00 N ATOM 540 CZ ARG A 38 6.608 -4.143 3.391 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.836 -3.095 4.170 1.00 0.00 N ATOM 542 NH2 ARG A 38 6.961 -5.356 3.798 1.00 0.00 N ATOM 0 H ARG A 38 2.137 -3.377 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 38 4.409 -4.543 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.857 -4.163 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.494 -2.709 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.125 -1.834 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.698 -3.409 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.470 -2.171 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.243 -2.064 2.501 1.00 0.00 H new ATOM 0 HE ARG A 38 5.866 -4.808 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.566 -2.161 3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.282 -3.222 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.787 -6.165 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.406 -5.479 4.707 1.00 0.00 H new ATOM 556 N ALA A 39 4.511 -6.404 -0.474 1.00 0.00 N ATOM 557 CA ALA A 39 4.238 -7.643 0.243 1.00 0.00 C ATOM 558 C ALA A 39 4.526 -7.491 1.732 1.00 0.00 C ATOM 559 O ALA A 39 5.666 -7.255 2.133 1.00 0.00 O ATOM 560 CB ALA A 39 5.059 -8.783 -0.342 1.00 0.00 C ATOM 0 H ALA A 39 5.471 -6.312 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 39 3.179 -7.875 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.845 -9.702 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.801 -8.916 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.120 -8.549 -0.256 1.00 0.00 H new ATOM 566 N SER A 40 3.486 -7.626 2.549 1.00 0.00 N ATOM 567 CA SER A 40 3.627 -7.498 3.994 1.00 0.00 C ATOM 568 C SER A 40 4.749 -8.393 4.512 1.00 0.00 C ATOM 569 O SER A 40 5.352 -9.151 3.752 1.00 0.00 O ATOM 570 CB SER A 40 2.312 -7.856 4.690 1.00 0.00 C ATOM 571 OG SER A 40 2.195 -7.188 5.934 1.00 0.00 O ATOM 0 H SER A 40 2.536 -7.824 2.234 1.00 0.00 H new ATOM 0 HA SER A 40 3.879 -6.462 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.473 -7.587 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.261 -8.934 4.846 1.00 0.00 H new ATOM 0 HG SER A 40 1.346 -7.432 6.358 1.00 0.00 H new ATOM 657 N ALA A 46 -0.456 -11.948 2.306 1.00 0.00 N ATOM 658 CA ALA A 46 -1.078 -10.647 2.516 1.00 0.00 C ATOM 659 C ALA A 46 -0.347 -9.557 1.738 1.00 0.00 C ATOM 660 O ALA A 46 0.711 -9.799 1.157 1.00 0.00 O ATOM 661 CB ALA A 46 -1.109 -10.309 3.999 1.00 0.00 C ATOM 0 HA ALA A 46 -2.102 -10.698 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.576 -9.334 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.682 -11.067 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.091 -10.283 4.388 1.00 0.00 H new ATOM 667 N TYR A 47 -0.919 -8.358 1.731 1.00 0.00 N ATOM 668 CA TYR A 47 -0.323 -7.232 1.021 1.00 0.00 C ATOM 669 C TYR A 47 -0.331 -5.976 1.888 1.00 0.00 C ATOM 670 O TYR A 47 -0.761 -6.007 3.041 1.00 0.00 O ATOM 671 CB TYR A 47 -1.075 -6.969 -0.285 1.00 0.00 C ATOM 672 CG TYR A 47 -0.597 -7.820 -1.440 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.510 -7.448 -2.192 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.253 -8.997 -1.779 1.00 0.00 C ATOM 675 CE1 TYR A 47 0.949 -8.222 -3.248 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.820 -9.778 -2.833 1.00 0.00 C ATOM 677 CZ TYR A 47 0.281 -9.386 -3.565 1.00 0.00 C ATOM 678 OH TYR A 47 0.716 -10.160 -4.616 1.00 0.00 O ATOM 0 H TYR A 47 -1.794 -8.141 2.208 1.00 0.00 H new ATOM 0 HA TYR A 47 0.712 -7.487 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.138 -7.151 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.968 -5.917 -0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.037 -6.538 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.116 -9.307 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.811 -7.917 -3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.341 -10.691 -3.082 1.00 0.00 H new ATOM 0 HH TYR A 47 0.137 -10.946 -4.705 1.00 0.00 H new ATOM 688 N ALA A 48 0.146 -4.872 1.323 1.00 0.00 N ATOM 689 CA ALA A 48 0.191 -3.605 2.041 1.00 0.00 C ATOM 690 C ALA A 48 0.069 -2.426 1.082 1.00 0.00 C ATOM 691 O ALA A 48 0.974 -2.160 0.289 1.00 0.00 O ATOM 692 CB ALA A 48 1.478 -3.501 2.847 1.00 0.00 C ATOM 0 H ALA A 48 0.507 -4.830 0.370 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.657 -3.573 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.499 -2.550 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.524 -4.319 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.334 -3.560 2.175 1.00 0.00 H new ATOM 698 N LEU A 49 -1.055 -1.722 1.158 1.00 0.00 N ATOM 699 CA LEU A 49 -1.296 -0.570 0.296 1.00 0.00 C ATOM 700 C LEU A 49 -0.897 0.726 0.993 1.00 0.00 C ATOM 701 O LEU A 49 -1.675 1.296 1.759 1.00 0.00 O ATOM 702 CB LEU A 49 -2.770 -0.511 -0.109 1.00 0.00 C ATOM 703 CG LEU A 49 -3.257 0.822 -0.679 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.613 1.092 -2.030 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.774 0.828 -0.798 1.00 0.00 C ATOM 0 H LEU A 49 -1.814 -1.929 1.808 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.683 -0.683 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.954 -1.289 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.376 -0.753 0.764 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.963 1.618 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.971 2.045 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.530 1.131 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.876 0.294 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.103 1.784 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.090 0.023 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.217 0.681 0.187 1.00 0.00 H new ATOM 717 N CYS A 50 0.319 1.187 0.723 1.00 0.00 N ATOM 718 CA CYS A 50 0.822 2.417 1.324 1.00 0.00 C ATOM 719 C CYS A 50 0.194 3.640 0.665 1.00 0.00 C ATOM 720 O CYS A 50 -0.251 3.581 -0.482 1.00 0.00 O ATOM 721 CB CYS A 50 2.345 2.483 1.202 1.00 0.00 C ATOM 722 SG CYS A 50 3.213 1.155 2.069 1.00 0.00 S ATOM 0 H CYS A 50 0.975 0.727 0.092 1.00 0.00 H new ATOM 0 HA CYS A 50 0.549 2.415 2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.616 2.451 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.689 3.442 1.591 1.00 0.00 H new ATOM 0 HG CYS A 50 4.448 1.505 2.273 1.00 0.00 H new ATOM 728 N VAL A 51 0.158 4.749 1.398 1.00 0.00 N ATOM 729 CA VAL A 51 -0.417 5.986 0.885 1.00 0.00 C ATOM 730 C VAL A 51 0.203 7.203 1.564 1.00 0.00 C ATOM 731 O VAL A 51 0.062 7.392 2.773 1.00 0.00 O ATOM 732 CB VAL A 51 -1.943 6.022 1.086 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.518 7.338 0.584 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.600 4.842 0.386 1.00 0.00 C ATOM 0 H VAL A 51 0.521 4.815 2.349 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.198 6.018 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.153 5.946 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.598 7.344 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.070 8.165 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.299 7.449 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.679 4.883 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.382 4.885 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.210 3.911 0.799 1.00 0.00 H new ATOM 744 N LEU A 52 0.890 8.026 0.779 1.00 0.00 N ATOM 745 CA LEU A 52 1.532 9.226 1.303 1.00 0.00 C ATOM 746 C LEU A 52 0.537 10.379 1.397 1.00 0.00 C ATOM 747 O LEU A 52 -0.136 10.712 0.422 1.00 0.00 O ATOM 748 CB LEU A 52 2.711 9.626 0.416 1.00 0.00 C ATOM 749 CG LEU A 52 3.580 10.774 0.932 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.381 10.334 2.147 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.506 11.278 -0.165 1.00 0.00 C ATOM 0 H LEU A 52 1.017 7.884 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 52 1.899 9.004 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.346 8.752 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.325 9.902 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 52 2.925 11.592 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.993 11.164 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.700 10.024 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.026 9.498 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.116 12.095 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.153 10.466 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.912 11.635 -1.007 1.00 0.00 H new ATOM 763 N TYR A 53 0.451 10.984 2.576 1.00 0.00 N ATOM 764 CA TYR A 53 -0.461 12.100 2.798 1.00 0.00 C ATOM 765 C TYR A 53 0.008 12.964 3.965 1.00 0.00 C ATOM 766 O TYR A 53 0.162 12.481 5.087 1.00 0.00 O ATOM 767 CB TYR A 53 -1.875 11.584 3.068 1.00 0.00 C ATOM 768 CG TYR A 53 -2.798 12.626 3.659 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.213 13.720 2.909 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.254 12.517 4.967 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.055 14.675 3.445 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.098 13.466 5.510 1.00 0.00 C ATOM 773 CZ TYR A 53 -4.495 14.543 4.746 1.00 0.00 C ATOM 774 OH TYR A 53 -5.334 15.492 5.284 1.00 0.00 O ATOM 0 H TYR A 53 1.002 10.721 3.393 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.470 12.713 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.304 11.219 2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.819 10.734 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.871 13.825 1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.943 11.676 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.367 15.520 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.445 13.365 6.528 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.551 15.250 6.209 1.00 0.00 H new ATOM 784 N ARG A 54 0.233 14.245 3.691 1.00 0.00 N ATOM 785 CA ARG A 54 0.685 15.178 4.716 1.00 0.00 C ATOM 786 C ARG A 54 1.981 14.693 5.358 1.00 0.00 C ATOM 787 O ARG A 54 2.105 14.659 6.582 1.00 0.00 O ATOM 788 CB ARG A 54 -0.393 15.353 5.787 1.00 0.00 C ATOM 789 CG ARG A 54 -1.730 15.819 5.235 1.00 0.00 C ATOM 790 CD ARG A 54 -1.816 17.336 5.190 1.00 0.00 C ATOM 791 NE ARG A 54 -1.165 17.886 4.004 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.039 19.188 3.772 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.517 20.069 4.640 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.433 19.611 2.670 1.00 0.00 N ATOM 0 H ARG A 54 0.110 14.660 2.768 1.00 0.00 H new ATOM 0 HA ARG A 54 0.873 16.140 4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.534 14.405 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.044 16.073 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.871 15.416 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.537 15.426 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.863 17.640 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.352 17.752 6.084 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.786 17.235 3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.983 19.748 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.419 21.068 4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.063 18.936 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.337 20.611 2.493 1.00 0.00 H new ATOM 808 N ASN A 55 2.945 14.318 4.524 1.00 0.00 N ATOM 809 CA ASN A 55 4.232 13.834 5.010 1.00 0.00 C ATOM 810 C ASN A 55 4.046 12.664 5.970 1.00 0.00 C ATOM 811 O ASN A 55 4.682 12.603 7.023 1.00 0.00 O ATOM 812 CB ASN A 55 4.995 14.963 5.706 1.00 0.00 C ATOM 813 CG ASN A 55 5.687 15.886 4.722 1.00 0.00 C ATOM 814 OD1 ASN A 55 6.603 15.476 4.008 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.252 17.140 4.680 1.00 0.00 N ATOM 0 H ASN A 55 2.859 14.340 3.508 1.00 0.00 H new ATOM 0 HA ASN A 55 4.809 13.489 4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.303 15.542 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.736 14.535 6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.680 17.807 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.490 17.436 5.290 1.00 0.00 H new ATOM 822 N CYS A 56 3.170 11.736 5.600 1.00 0.00 N ATOM 823 CA CYS A 56 2.899 10.566 6.428 1.00 0.00 C ATOM 824 C CYS A 56 2.633 9.338 5.564 1.00 0.00 C ATOM 825 O CYS A 56 1.959 9.422 4.537 1.00 0.00 O ATOM 826 CB CYS A 56 1.702 10.830 7.343 1.00 0.00 C ATOM 827 SG CYS A 56 1.576 9.690 8.741 1.00 0.00 S ATOM 0 H CYS A 56 2.635 11.771 4.732 1.00 0.00 H new ATOM 0 HA CYS A 56 3.780 10.373 7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.767 11.849 7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.787 10.768 6.754 1.00 0.00 H new ATOM 0 HG CYS A 56 0.535 9.995 9.457 1.00 0.00 H new ATOM 833 N VAL A 57 3.169 8.197 5.986 1.00 0.00 N ATOM 834 CA VAL A 57 2.990 6.950 5.251 1.00 0.00 C ATOM 835 C VAL A 57 1.904 6.089 5.886 1.00 0.00 C ATOM 836 O VAL A 57 2.080 5.557 6.982 1.00 0.00 O ATOM 837 CB VAL A 57 4.300 6.142 5.190 1.00 0.00 C ATOM 838 CG1 VAL A 57 4.043 4.749 4.637 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.338 6.874 4.352 1.00 0.00 C ATOM 0 H VAL A 57 3.731 8.110 6.833 1.00 0.00 H new ATOM 0 HA VAL A 57 2.690 7.219 4.238 1.00 0.00 H new ATOM 0 HB VAL A 57 4.690 6.038 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.980 4.193 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.335 4.227 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.629 4.827 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.257 6.289 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.958 7.010 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.543 7.848 4.796 1.00 0.00 H new ATOM 849 N TYR A 58 0.781 5.955 5.189 1.00 0.00 N ATOM 850 CA TYR A 58 -0.336 5.159 5.684 1.00 0.00 C ATOM 851 C TYR A 58 -0.283 3.740 5.127 1.00 0.00 C ATOM 852 O TYR A 58 -0.522 3.516 3.940 1.00 0.00 O ATOM 853 CB TYR A 58 -1.664 5.817 5.309 1.00 0.00 C ATOM 854 CG TYR A 58 -1.952 7.084 6.082 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.378 8.294 5.710 1.00 0.00 C ATOM 856 CD2 TYR A 58 -2.797 7.072 7.186 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.637 9.454 6.414 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.063 8.228 7.894 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.481 9.416 7.505 1.00 0.00 C ATOM 860 OH TYR A 58 -2.742 10.569 8.209 1.00 0.00 O ATOM 0 H TYR A 58 0.620 6.387 4.279 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.258 5.106 6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.659 6.045 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.473 5.106 5.479 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.718 8.328 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.253 6.143 7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.181 10.386 6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.724 8.201 8.748 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.356 10.370 8.947 1.00 0.00 H new ATOM 870 N THR A 59 0.031 2.782 5.994 1.00 0.00 N ATOM 871 CA THR A 59 0.116 1.384 5.590 1.00 0.00 C ATOM 872 C THR A 59 -1.227 0.681 5.756 1.00 0.00 C ATOM 873 O THR A 59 -1.781 0.632 6.854 1.00 0.00 O ATOM 874 CB THR A 59 1.182 0.628 6.406 1.00 0.00 C ATOM 875 OG1 THR A 59 2.420 1.346 6.379 1.00 0.00 O ATOM 876 CG2 THR A 59 1.392 -0.774 5.854 1.00 0.00 C ATOM 0 H THR A 59 0.231 2.949 6.980 1.00 0.00 H new ATOM 0 HA THR A 59 0.400 1.376 4.538 1.00 0.00 H new ATOM 0 HB THR A 59 0.831 0.548 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.092 0.860 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.149 -1.289 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.455 -1.328 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.723 -0.711 4.817 1.00 0.00 H new ATOM 884 N TYR A 60 -1.744 0.139 4.659 1.00 0.00 N ATOM 885 CA TYR A 60 -3.023 -0.560 4.683 1.00 0.00 C ATOM 886 C TYR A 60 -2.833 -2.054 4.442 1.00 0.00 C ATOM 887 O TYR A 60 -2.758 -2.506 3.299 1.00 0.00 O ATOM 888 CB TYR A 60 -3.966 0.022 3.627 1.00 0.00 C ATOM 889 CG TYR A 60 -4.776 1.198 4.122 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.829 1.018 5.010 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.489 2.491 3.701 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.573 2.090 5.464 1.00 0.00 C ATOM 893 CE2 TYR A 60 -5.226 3.569 4.151 1.00 0.00 C ATOM 894 CZ TYR A 60 -6.267 3.364 5.032 1.00 0.00 C ATOM 895 OH TYR A 60 -7.005 4.434 5.483 1.00 0.00 O ATOM 0 H TYR A 60 -1.297 0.170 3.743 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.464 -0.423 5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.381 0.333 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.646 -0.760 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.070 0.022 5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.676 2.656 3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.389 1.932 6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.988 4.567 3.815 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.440 5.234 5.508 1.00 0.00 H new ATOM 905 N ARG A 61 -2.755 -2.817 5.527 1.00 0.00 N ATOM 906 CA ARG A 61 -2.572 -4.260 5.436 1.00 0.00 C ATOM 907 C ARG A 61 -3.806 -4.927 4.835 1.00 0.00 C ATOM 908 O ARG A 61 -4.937 -4.595 5.189 1.00 0.00 O ATOM 909 CB ARG A 61 -2.284 -4.848 6.818 1.00 0.00 C ATOM 910 CG ARG A 61 -3.003 -4.129 7.948 1.00 0.00 C ATOM 911 CD ARG A 61 -3.312 -5.071 9.101 1.00 0.00 C ATOM 912 NE ARG A 61 -4.406 -4.578 9.933 1.00 0.00 N ATOM 913 CZ ARG A 61 -4.613 -4.972 11.184 1.00 0.00 C ATOM 914 NH1 ARG A 61 -3.803 -5.859 11.746 1.00 0.00 N ATOM 915 NH2 ARG A 61 -5.631 -4.477 11.877 1.00 0.00 N ATOM 0 H ARG A 61 -2.816 -2.459 6.480 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.721 -4.452 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.575 -5.899 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.210 -4.813 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.387 -3.304 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.930 -3.695 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.571 -6.054 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.420 -5.199 9.714 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.046 -3.893 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.019 -6.240 11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.964 -6.160 12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.255 -3.793 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.789 -4.780 12.838 1.00 0.00 H new ATOM 929 N ILE A 62 -3.579 -5.868 3.924 1.00 0.00 N ATOM 930 CA ILE A 62 -4.672 -6.581 3.275 1.00 0.00 C ATOM 931 C ILE A 62 -4.539 -8.088 3.473 1.00 0.00 C ATOM 932 O ILE A 62 -3.600 -8.710 2.976 1.00 0.00 O ATOM 933 CB ILE A 62 -4.726 -6.276 1.766 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.901 -4.774 1.534 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.855 -7.055 1.108 1.00 0.00 C ATOM 936 CD1 ILE A 62 -4.371 -4.303 0.198 1.00 0.00 C ATOM 0 H ILE A 62 -2.649 -6.154 3.619 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.595 -6.235 3.740 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.785 -6.587 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.960 -4.525 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.392 -4.230 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.880 -6.829 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.690 -8.123 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.805 -6.772 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.529 -3.229 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.305 -4.521 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.897 -4.820 -0.605 1.00 0.00 H new ATOM 948 N LEU A 63 -5.486 -8.669 4.200 1.00 0.00 N ATOM 949 CA LEU A 63 -5.477 -10.104 4.463 1.00 0.00 C ATOM 950 C LEU A 63 -6.238 -10.860 3.379 1.00 0.00 C ATOM 951 O LEU A 63 -7.258 -10.400 2.865 1.00 0.00 O ATOM 952 CB LEU A 63 -6.094 -10.395 5.832 1.00 0.00 C ATOM 953 CG LEU A 63 -5.211 -10.093 7.044 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.926 -10.904 6.983 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.903 -8.605 7.121 1.00 0.00 C ATOM 0 H LEU A 63 -6.270 -8.169 4.618 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.441 -10.443 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.013 -9.817 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.375 -11.448 5.865 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.753 -10.378 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.310 -10.676 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.167 -11.967 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.379 -10.651 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.274 -8.408 7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.381 -8.294 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.834 -8.045 7.213 1.00 0.00 H new ATOM 967 N PRO A 64 -5.732 -12.051 3.022 1.00 0.00 N ATOM 968 CA PRO A 64 -6.350 -12.898 1.998 1.00 0.00 C ATOM 969 C PRO A 64 -7.678 -13.490 2.458 1.00 0.00 C ATOM 970 O PRO A 64 -7.886 -13.720 3.648 1.00 0.00 O ATOM 971 CB PRO A 64 -5.316 -14.006 1.784 1.00 0.00 C ATOM 972 CG PRO A 64 -4.557 -14.068 3.064 1.00 0.00 C ATOM 973 CD PRO A 64 -4.520 -12.661 3.592 1.00 0.00 C ATOM 0 HA PRO A 64 -6.588 -12.337 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.797 -14.959 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.659 -13.778 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.042 -14.738 3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.549 -14.451 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.534 -12.640 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.619 -12.136 3.275 1.00 0.00 H new ATOM 981 N ASN A 65 -8.573 -13.734 1.506 1.00 0.00 N ATOM 982 CA ASN A 65 -9.881 -14.299 1.814 1.00 0.00 C ATOM 983 C ASN A 65 -9.971 -15.749 1.348 1.00 0.00 C ATOM 984 O ASN A 65 -9.137 -16.214 0.572 1.00 0.00 O ATOM 985 CB ASN A 65 -10.986 -13.470 1.156 1.00 0.00 C ATOM 986 CG ASN A 65 -12.372 -13.905 1.591 1.00 0.00 C ATOM 987 OD1 ASN A 65 -13.225 -14.219 0.761 1.00 0.00 O ATOM 988 ND2 ASN A 65 -12.603 -13.925 2.898 1.00 0.00 N ATOM 0 H ASN A 65 -8.416 -13.549 0.515 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.014 -14.275 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.844 -12.418 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.905 -13.556 0.072 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.517 -14.209 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.866 -13.657 3.550 1.00 0.00 H new ATOM 995 N GLU A 66 -10.989 -16.457 1.827 1.00 0.00 N ATOM 996 CA GLU A 66 -11.188 -17.854 1.459 1.00 0.00 C ATOM 997 C GLU A 66 -11.060 -18.042 -0.050 1.00 0.00 C ATOM 998 O GLU A 66 -10.567 -19.068 -0.519 1.00 0.00 O ATOM 999 CB GLU A 66 -12.560 -18.339 1.930 1.00 0.00 C ATOM 1000 CG GLU A 66 -12.651 -18.540 3.433 1.00 0.00 C ATOM 1001 CD GLU A 66 -12.235 -19.934 3.862 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -12.863 -20.909 3.399 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -11.281 -20.048 4.660 1.00 0.00 O ATOM 0 H GLU A 66 -11.688 -16.086 2.470 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.415 -18.446 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.317 -17.617 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.795 -19.279 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.018 -17.806 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.674 -18.354 3.759 1.00 0.00 H new ATOM 1010 N ASP A 67 -11.508 -17.045 -0.805 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.445 -17.099 -2.261 1.00 0.00 C ATOM 1012 C ASP A 67 -10.181 -16.416 -2.775 1.00 0.00 C ATOM 1013 O ASP A 67 -10.183 -15.814 -3.849 1.00 0.00 O ATOM 1014 CB ASP A 67 -12.682 -16.439 -2.872 1.00 0.00 C ATOM 1015 CG ASP A 67 -13.906 -17.330 -2.804 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -14.639 -17.256 -1.795 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -14.133 -18.099 -3.761 1.00 0.00 O ATOM 0 H ASP A 67 -11.919 -16.189 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.418 -18.147 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.887 -15.504 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.478 -16.185 -3.912 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.106 -16.513 -2.002 1.00 0.00 N ATOM 1023 CA ASP A 68 -7.835 -15.905 -2.379 1.00 0.00 C ATOM 1024 C ASP A 68 -8.048 -14.494 -2.920 1.00 0.00 C ATOM 1025 O ASP A 68 -7.274 -14.011 -3.747 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.125 -16.764 -3.426 1.00 0.00 C ATOM 1027 CG ASP A 68 -5.639 -16.475 -3.500 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -5.247 -15.575 -4.274 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -4.867 -17.147 -2.785 1.00 0.00 O ATOM 0 H ASP A 68 -9.089 -17.007 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.211 -15.843 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.276 -17.818 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.576 -16.588 -4.403 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.102 -13.838 -2.448 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.418 -12.482 -2.883 1.00 0.00 C ATOM 1036 C LYS A 69 -8.533 -11.463 -2.173 1.00 0.00 C ATOM 1037 O LYS A 69 -7.632 -11.828 -1.416 1.00 0.00 O ATOM 1038 CB LYS A 69 -10.891 -12.169 -2.614 1.00 0.00 C ATOM 1039 CG LYS A 69 -11.850 -12.959 -3.488 1.00 0.00 C ATOM 1040 CD LYS A 69 -11.971 -12.351 -4.875 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.617 -13.319 -5.854 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.095 -13.373 -5.687 1.00 0.00 N ATOM 0 H LYS A 69 -9.753 -14.223 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.229 -12.417 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.112 -12.376 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.062 -11.104 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.504 -13.989 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.832 -12.990 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.562 -11.437 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.982 -12.071 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.378 -13.018 -6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.199 -14.315 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.498 -14.044 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.324 -13.685 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.498 -12.428 -5.850 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.795 -10.184 -2.420 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.023 -9.112 -1.804 1.00 0.00 C ATOM 1058 C PHE A 70 -8.937 -7.985 -1.331 1.00 0.00 C ATOM 1059 O PHE A 70 -9.502 -7.247 -2.138 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.991 -8.565 -2.792 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.897 -9.541 -3.118 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -4.956 -9.893 -2.163 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -5.809 -10.108 -4.379 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.949 -10.790 -2.461 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -4.804 -11.007 -4.683 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.873 -11.349 -3.722 1.00 0.00 C ATOM 0 H PHE A 70 -9.537 -9.865 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.505 -9.524 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.498 -8.279 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.548 -7.660 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.011 -9.461 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.535 -9.844 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.221 -11.054 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.747 -11.441 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.087 -12.052 -3.956 1.00 0.00 H new ATOM 1076 N THR A 71 -9.078 -7.859 -0.014 1.00 0.00 N ATOM 1077 CA THR A 71 -9.924 -6.825 0.568 1.00 0.00 C ATOM 1078 C THR A 71 -9.227 -6.138 1.737 1.00 0.00 C ATOM 1079 O THR A 71 -8.801 -6.792 2.689 1.00 0.00 O ATOM 1080 CB THR A 71 -11.266 -7.404 1.053 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.941 -6.450 1.879 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.049 -8.693 1.832 1.00 0.00 C ATOM 0 H THR A 71 -8.617 -8.460 0.669 1.00 0.00 H new ATOM 0 HA THR A 71 -10.115 -6.094 -0.218 1.00 0.00 H new ATOM 0 HB THR A 71 -11.878 -7.625 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.794 -6.825 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.011 -9.084 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.561 -9.428 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.420 -8.493 2.699 1.00 0.00 H new ATOM 1090 N VAL A 72 -9.115 -4.816 1.659 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.471 -4.040 2.713 1.00 0.00 C ATOM 1092 C VAL A 72 -9.361 -3.945 3.947 1.00 0.00 C ATOM 1093 O VAL A 72 -10.585 -3.886 3.837 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.125 -2.619 2.231 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.241 -1.911 3.247 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.452 -2.667 0.868 1.00 0.00 C ATOM 0 H VAL A 72 -9.462 -4.260 0.877 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.550 -4.561 2.973 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.051 -2.052 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.007 -0.908 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.765 -1.843 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.317 -2.474 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.215 -1.654 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.534 -3.251 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.124 -3.131 0.146 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.736 -3.928 5.120 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.473 -3.840 6.375 1.00 0.00 C ATOM 1108 C GLN A 73 -9.367 -2.440 6.971 1.00 0.00 C ATOM 1109 O GLN A 73 -8.577 -2.202 7.884 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.947 -4.873 7.373 1.00 0.00 C ATOM 1111 CG GLN A 73 -9.175 -6.311 6.938 1.00 0.00 C ATOM 1112 CD GLN A 73 -9.287 -7.266 8.110 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -9.349 -6.844 9.265 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.313 -8.561 7.819 1.00 0.00 N ATOM 0 H GLN A 73 -7.723 -3.974 5.227 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.522 -4.048 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.879 -4.712 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.430 -4.713 8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.086 -6.366 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.353 -6.626 6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.259 -8.867 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.387 -9.250 8.567 1.00 0.00 H new ATOM 1123 N ALA A 74 -10.168 -1.518 6.448 1.00 0.00 N ATOM 1124 CA ALA A 74 -10.165 -0.142 6.929 1.00 0.00 C ATOM 1125 C ALA A 74 -11.252 0.076 7.976 1.00 0.00 C ATOM 1126 O ALA A 74 -10.961 0.253 9.159 1.00 0.00 O ATOM 1127 CB ALA A 74 -10.347 0.824 5.768 1.00 0.00 C ATOM 0 H ALA A 74 -10.827 -1.699 5.691 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.200 0.050 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.343 1.848 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.532 0.695 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.297 0.623 5.273 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.573 -6.289 0.209 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.422 -6.734 -1.171 1.00 0.00 C ATOM 1212 C ARG A 81 -15.103 -7.477 -1.362 1.00 0.00 C ATOM 1213 O ARG A 81 -14.134 -7.239 -0.640 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.489 -5.539 -2.125 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.906 -5.151 -2.516 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.930 -4.382 -3.827 1.00 0.00 C ATOM 1217 NE ARG A 81 -19.286 -4.231 -4.348 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.567 -3.651 -5.510 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -18.591 -3.170 -6.268 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.827 -3.552 -5.916 1.00 0.00 N ATOM 0 HA ARG A 81 -17.240 -7.418 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.003 -4.683 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.923 -5.773 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.518 -6.048 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.349 -4.542 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.487 -3.397 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.315 -4.900 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.060 -4.591 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.622 -3.245 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.810 -2.725 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.580 -3.921 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.042 -3.107 -6.808 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.074 -8.379 -2.338 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.875 -9.158 -2.623 1.00 0.00 C ATOM 1236 C PHE A 82 -13.526 -9.096 -4.107 1.00 0.00 C ATOM 1237 O PHE A 82 -14.297 -9.543 -4.957 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.074 -10.614 -2.194 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.667 -10.759 -0.822 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.033 -10.634 -0.627 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -13.859 -11.021 0.272 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -16.582 -10.766 0.635 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -14.402 -11.155 1.537 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.766 -11.028 1.717 1.00 0.00 C ATOM 0 H PHE A 82 -15.867 -8.588 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.049 -8.729 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.722 -11.112 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.113 -11.127 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.676 -10.431 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.792 -11.122 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.648 -10.664 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.761 -11.358 2.382 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.193 -11.134 2.703 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.359 -8.539 -4.411 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.907 -8.416 -5.792 1.00 0.00 C ATOM 1256 C PHE A 83 -10.956 -9.553 -6.156 1.00 0.00 C ATOM 1257 O PHE A 83 -10.127 -9.969 -5.346 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.216 -7.068 -6.007 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.960 -5.910 -5.407 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.832 -5.610 -4.061 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.788 -5.122 -6.190 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.516 -4.545 -3.506 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.474 -4.055 -5.640 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.339 -3.767 -4.296 1.00 0.00 C ATOM 0 H PHE A 83 -11.709 -8.165 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.781 -8.475 -6.441 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.216 -7.109 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.096 -6.897 -7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.190 -6.215 -3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.899 -5.344 -7.241 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.407 -4.321 -2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.115 -3.447 -6.261 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.876 -2.935 -3.864 1.00 0.00 H new ATOM 1274 N THR A 84 -11.081 -10.052 -7.382 1.00 0.00 N ATOM 1275 CA THR A 84 -10.235 -11.140 -7.854 1.00 0.00 C ATOM 1276 C THR A 84 -8.864 -10.627 -8.278 1.00 0.00 C ATOM 1277 O THR A 84 -7.860 -11.330 -8.152 1.00 0.00 O ATOM 1278 CB THR A 84 -10.882 -11.881 -9.040 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.964 -12.839 -9.579 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.298 -10.902 -10.127 1.00 0.00 C ATOM 0 H THR A 84 -11.761 -9.719 -8.066 1.00 0.00 H new ATOM 0 HA THR A 84 -10.119 -11.833 -7.021 1.00 0.00 H new ATOM 0 HB THR A 84 -11.772 -12.396 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.383 -13.307 -10.331 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.752 -11.448 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.019 -10.192 -9.721 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.421 -10.363 -10.486 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.826 -9.397 -8.779 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.577 -8.788 -9.220 1.00 0.00 C ATOM 1290 C LYS A 85 -7.195 -7.618 -8.319 1.00 0.00 C ATOM 1291 O LYS A 85 -7.993 -6.706 -8.097 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.702 -8.310 -10.669 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.339 -9.333 -11.593 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.828 -9.193 -13.017 1.00 0.00 C ATOM 1295 CE LYS A 85 -8.686 -8.231 -13.825 1.00 0.00 C ATOM 1296 NZ LYS A 85 -8.464 -8.387 -15.290 1.00 0.00 N ATOM 0 H LYS A 85 -9.647 -8.802 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.793 -9.542 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.293 -7.395 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.711 -8.059 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.127 -10.337 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.422 -9.211 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.798 -8.838 -13.002 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.821 -10.170 -13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.738 -8.403 -13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.459 -7.206 -13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.066 -7.714 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.466 -8.198 -15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.705 -9.357 -15.576 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.972 -7.649 -7.804 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.483 -6.590 -6.928 1.00 0.00 C ATOM 1312 C LEU A 86 -5.718 -5.217 -7.550 1.00 0.00 C ATOM 1313 O LEU A 86 -5.989 -4.244 -6.846 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.993 -6.784 -6.641 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.494 -6.261 -5.294 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.871 -4.798 -5.117 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -4.056 -7.099 -4.155 1.00 0.00 C ATOM 0 H LEU A 86 -5.300 -8.396 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.037 -6.644 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.768 -7.849 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.425 -6.294 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.407 -6.340 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.508 -4.443 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.421 -4.207 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.955 -4.694 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.690 -6.712 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.145 -7.052 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.736 -8.134 -4.273 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.614 -5.147 -8.872 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.819 -3.895 -9.590 1.00 0.00 C ATOM 1331 C ASP A 87 -7.264 -3.425 -9.463 1.00 0.00 C ATOM 1332 O ASP A 87 -7.524 -2.270 -9.128 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.451 -4.062 -11.066 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.553 -4.729 -11.865 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -6.686 -5.968 -11.773 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -7.283 -4.013 -12.581 1.00 0.00 O ATOM 0 H ASP A 87 -5.389 -5.943 -9.469 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.171 -3.140 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.235 -3.084 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.539 -4.654 -11.145 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.201 -4.329 -9.734 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.620 -4.006 -9.652 1.00 0.00 C ATOM 1343 C GLN A 88 -9.953 -3.355 -8.313 1.00 0.00 C ATOM 1344 O GLN A 88 -10.944 -2.633 -8.192 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.464 -5.267 -9.843 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.464 -5.788 -11.271 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.566 -5.177 -12.115 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.707 -5.641 -12.097 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -11.230 -4.131 -12.859 1.00 0.00 N ATOM 0 H GLN A 88 -8.002 -5.290 -10.012 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.852 -3.298 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.091 -6.048 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.490 -5.057 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.499 -5.576 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.580 -6.872 -11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.272 -3.780 -12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.929 -3.678 -13.447 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.121 -3.614 -7.312 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.327 -3.053 -5.981 1.00 0.00 C ATOM 1360 C LEU A 89 -8.789 -1.628 -5.901 1.00 0.00 C ATOM 1361 O LEU A 89 -9.452 -0.733 -5.375 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.645 -3.927 -4.926 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.547 -3.331 -3.522 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.540 -4.433 -2.473 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.303 -2.464 -3.396 1.00 0.00 C ATOM 0 H LEU A 89 -8.297 -4.209 -7.396 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.399 -3.029 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.185 -4.871 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.638 -4.159 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.422 -2.703 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.470 -3.989 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.460 -5.012 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.685 -5.088 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.250 -2.048 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.417 -3.070 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.350 -1.652 -4.122 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.587 -1.425 -6.427 1.00 0.00 N ATOM 1378 CA ILE A 90 -6.962 -0.108 -6.419 1.00 0.00 C ATOM 1379 C ILE A 90 -7.945 0.969 -6.866 1.00 0.00 C ATOM 1380 O ILE A 90 -8.144 1.967 -6.175 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.722 -0.066 -7.331 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.636 -1.002 -6.795 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.194 1.356 -7.443 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.167 -0.647 -5.401 1.00 0.00 C ATOM 0 H ILE A 90 -7.026 -2.156 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.653 0.088 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.010 -0.405 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.017 -2.023 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.783 -0.981 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.318 1.369 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.967 1.999 -7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.919 1.721 -6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.398 -1.352 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.756 0.363 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.009 -0.696 -4.710 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.557 0.759 -8.028 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.519 1.712 -8.567 1.00 0.00 C ATOM 1398 C GLU A 91 -10.684 1.913 -7.602 1.00 0.00 C ATOM 1399 O GLU A 91 -11.102 3.042 -7.342 1.00 0.00 O ATOM 1400 CB GLU A 91 -10.043 1.231 -9.922 1.00 0.00 C ATOM 1401 CG GLU A 91 -9.128 1.577 -11.085 1.00 0.00 C ATOM 1402 CD GLU A 91 -9.254 0.598 -12.237 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -9.536 -0.590 -11.977 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -9.070 1.021 -13.397 1.00 0.00 O ATOM 0 H GLU A 91 -8.403 -0.062 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.010 2.667 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.179 0.150 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.025 1.670 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.361 2.581 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.095 1.593 -10.738 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.205 0.811 -7.074 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.323 0.865 -6.139 1.00 0.00 C ATOM 1413 C PHE A 92 -12.019 1.812 -4.982 1.00 0.00 C ATOM 1414 O PHE A 92 -12.923 2.424 -4.412 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.633 -0.533 -5.600 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.805 -0.568 -4.662 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -13.636 -0.314 -3.311 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -15.077 -0.853 -5.132 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -14.713 -0.346 -2.445 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -16.158 -0.886 -4.271 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.976 -0.631 -2.926 1.00 0.00 C ATOM 0 H PHE A 92 -10.871 -0.131 -7.278 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.194 1.242 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.829 -1.202 -6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.753 -0.918 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -12.651 -0.088 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.226 -1.052 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.567 -0.148 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -17.144 -1.111 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.819 -0.654 -2.252 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.740 1.927 -4.640 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.316 2.797 -3.550 1.00 0.00 C ATOM 1433 C TYR A 93 -9.867 4.155 -4.079 1.00 0.00 C ATOM 1434 O TYR A 93 -8.986 4.798 -3.507 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.181 2.143 -2.761 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.653 1.115 -1.758 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.037 1.490 -0.477 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.716 -0.232 -2.092 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.469 0.554 0.443 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.148 -1.175 -1.180 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.523 -0.777 0.087 1.00 0.00 C ATOM 1442 OH TYR A 93 -10.953 -1.713 0.999 1.00 0.00 O ATOM 0 H TYR A 93 -9.979 1.429 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.169 2.950 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.492 1.667 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.620 2.918 -2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.997 2.532 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.422 -0.547 -3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.763 0.863 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.192 -2.218 -1.457 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.932 -2.603 0.589 1.00 0.00 H new ATOM 1452 N LYS A 94 -10.478 4.587 -5.177 1.00 0.00 N ATOM 1453 CA LYS A 94 -10.145 5.869 -5.785 1.00 0.00 C ATOM 1454 C LYS A 94 -11.041 6.978 -5.243 1.00 0.00 C ATOM 1455 O LYS A 94 -10.681 8.155 -5.280 1.00 0.00 O ATOM 1456 CB LYS A 94 -10.283 5.786 -7.307 1.00 0.00 C ATOM 1457 CG LYS A 94 -9.175 4.989 -7.976 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.942 5.843 -8.218 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.722 4.987 -8.519 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.654 5.765 -9.206 1.00 0.00 N ATOM 0 H LYS A 94 -11.208 4.067 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.111 6.105 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.244 5.333 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.292 6.795 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.911 4.136 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.534 4.590 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.126 6.522 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.747 6.460 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.330 4.574 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.016 4.143 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.015 5.113 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.086 6.417 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.114 6.310 -8.503 1.00 0.00 H new ATOM 1474 N LYS A 95 -12.209 6.595 -4.739 1.00 0.00 N ATOM 1475 CA LYS A 95 -13.156 7.556 -4.186 1.00 0.00 C ATOM 1476 C LYS A 95 -12.587 8.225 -2.938 1.00 0.00 C ATOM 1477 O LYS A 95 -12.081 7.553 -2.040 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.478 6.864 -3.848 1.00 0.00 C ATOM 1479 CG LYS A 95 -15.688 7.776 -3.959 1.00 0.00 C ATOM 1480 CD LYS A 95 -16.247 7.792 -5.371 1.00 0.00 C ATOM 1481 CE LYS A 95 -17.125 9.011 -5.609 1.00 0.00 C ATOM 1482 NZ LYS A 95 -18.452 8.876 -4.947 1.00 0.00 N ATOM 0 H LYS A 95 -12.523 5.625 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 95 -13.337 8.324 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.613 6.012 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.423 6.469 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.460 7.444 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.410 8.788 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.426 7.788 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.827 6.885 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.620 9.901 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.266 9.153 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -19.021 9.727 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.945 8.041 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.319 8.766 -3.921 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.743 5.965 1.395 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.735 6.000 2.449 1.00 0.00 C ATOM 1551 C LEU A 100 -8.406 7.437 2.840 1.00 0.00 C ATOM 1552 O LEU A 100 -8.989 8.384 2.313 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.465 5.281 1.991 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.668 3.918 1.328 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.553 3.638 0.332 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.736 2.819 2.378 1.00 0.00 C ATOM 0 HA LEU A 100 -9.140 5.489 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.937 5.928 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.814 5.149 2.855 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.614 3.935 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.714 2.664 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.551 4.409 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.594 3.640 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.881 1.856 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.806 2.801 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.570 3.012 3.053 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.467 7.592 3.768 1.00 0.00 N ATOM 1569 CA VAL A 101 -7.057 8.913 4.228 1.00 0.00 C ATOM 1570 C VAL A 101 -7.112 9.931 3.095 1.00 0.00 C ATOM 1571 O VAL A 101 -7.582 11.055 3.276 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.632 8.888 4.813 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.714 8.043 3.943 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -5.091 10.302 4.958 1.00 0.00 C ATOM 0 H VAL A 101 -6.976 6.818 4.216 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.757 9.206 5.010 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.672 8.436 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.712 8.036 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.095 7.023 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.677 8.463 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.084 10.265 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.064 10.783 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.737 10.872 5.625 1.00 0.00 H new ATOM 1584 N THR A 102 -6.628 9.531 1.923 1.00 0.00 N ATOM 1585 CA THR A 102 -6.620 10.408 0.759 1.00 0.00 C ATOM 1586 C THR A 102 -6.734 9.607 -0.533 1.00 0.00 C ATOM 1587 O THR A 102 -6.057 8.594 -0.709 1.00 0.00 O ATOM 1588 CB THR A 102 -5.340 11.264 0.709 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.580 12.460 -0.040 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.194 10.486 0.079 1.00 0.00 C ATOM 0 H THR A 102 -6.236 8.604 1.755 1.00 0.00 H new ATOM 0 HA THR A 102 -7.484 11.066 0.853 1.00 0.00 H new ATOM 0 HB THR A 102 -5.063 11.525 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.762 12.999 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.301 11.110 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.995 9.591 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.464 10.199 -0.937 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.594 10.069 -1.436 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.795 9.395 -2.714 1.00 0.00 C ATOM 1600 C HIS A 103 -6.461 9.141 -3.410 1.00 0.00 C ATOM 1601 O HIS A 103 -5.430 9.688 -3.017 1.00 0.00 O ATOM 1602 CB HIS A 103 -8.703 10.231 -3.617 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.290 11.666 -3.719 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -7.240 12.326 -3.176 1.00 0.00 N flip ATOM 1605 CD2 HIS A 103 -8.992 12.602 -4.449 1.00 0.00 C flip ATOM 1606 CE1 HIS A 103 -7.325 13.634 -3.585 1.00 0.00 C flip ATOM 1607 NE2 HIS A 103 -8.391 13.774 -4.352 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.162 10.906 -1.306 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.272 8.434 -2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.712 9.793 -4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.724 10.181 -3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.893 12.407 -5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -6.633 14.420 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.698 14.640 -4.794 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.489 8.307 -4.443 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.282 7.978 -5.194 1.00 0.00 C ATOM 1618 C LEU A 104 -5.145 8.871 -6.423 1.00 0.00 C ATOM 1619 O LEU A 104 -6.043 8.929 -7.262 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.304 6.509 -5.617 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.822 5.518 -4.574 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.725 4.093 -5.097 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -5.050 5.663 -3.270 1.00 0.00 C ATOM 0 H LEU A 104 -7.334 7.846 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.423 8.149 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.919 6.419 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.292 6.217 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.871 5.741 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.098 3.402 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.323 3.997 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.685 3.858 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.432 4.950 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.993 5.467 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.171 6.676 -2.886 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.015 9.564 -6.522 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.761 10.452 -7.650 1.00 0.00 C ATOM 1637 C GLN A 105 -2.840 9.789 -8.669 1.00 0.00 C ATOM 1638 O GLN A 105 -3.253 9.484 -9.788 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.143 11.764 -7.164 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.136 12.687 -6.477 1.00 0.00 C ATOM 1641 CD GLN A 105 -3.482 13.933 -5.913 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -2.446 14.381 -6.406 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.084 14.501 -4.875 1.00 0.00 N ATOM 0 H GLN A 105 -3.262 9.528 -5.835 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.714 10.665 -8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.331 11.539 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.703 12.285 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.909 12.978 -7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.632 12.146 -5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.941 14.096 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.689 15.342 -4.454 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.591 9.569 -8.274 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.610 8.945 -9.154 1.00 0.00 C ATOM 1654 C TYR A 106 -0.053 7.669 -8.531 1.00 0.00 C ATOM 1655 O TYR A 106 0.442 7.663 -7.403 1.00 0.00 O ATOM 1656 CB TYR A 106 0.530 9.919 -9.454 1.00 0.00 C ATOM 1657 CG TYR A 106 0.078 11.354 -9.598 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.717 11.750 -10.666 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.446 12.316 -8.664 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.132 13.060 -10.802 1.00 0.00 C ATOM 1661 CE2 TYR A 106 0.035 13.629 -8.791 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.753 13.996 -9.862 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.165 15.302 -9.992 1.00 0.00 O ATOM 0 H TYR A 106 -1.234 9.813 -7.350 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.111 8.684 -10.086 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.269 9.858 -8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.028 9.610 -10.373 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.016 11.020 -11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.064 12.032 -7.825 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.750 13.350 -11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.329 14.364 -8.056 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.813 15.832 -9.247 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.135 6.560 -9.281 1.00 0.00 N ATOM 1674 CA PRO A 107 0.357 5.257 -8.824 1.00 0.00 C ATOM 1675 C PRO A 107 1.879 5.207 -8.742 1.00 0.00 C ATOM 1676 O PRO A 107 2.552 4.857 -9.712 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.152 4.290 -9.896 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.310 5.128 -11.118 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.712 6.494 -10.634 1.00 0.00 C ATOM 0 HA PRO A 107 0.011 5.021 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.554 3.476 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.098 3.836 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.621 5.173 -11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.067 4.711 -11.782 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.318 7.280 -11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.796 6.611 -10.615 1.00 0.00 H new ATOM 1687 N VAL A 108 2.416 5.560 -7.579 1.00 0.00 N ATOM 1688 CA VAL A 108 3.859 5.555 -7.370 1.00 0.00 C ATOM 1689 C VAL A 108 4.512 4.374 -8.079 1.00 0.00 C ATOM 1690 O VAL A 108 4.508 3.244 -7.589 1.00 0.00 O ATOM 1691 CB VAL A 108 4.209 5.497 -5.871 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.715 5.426 -5.676 1.00 0.00 C ATOM 1693 CG2 VAL A 108 3.624 6.697 -5.141 1.00 0.00 C ATOM 0 H VAL A 108 1.873 5.853 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 108 4.243 6.485 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 108 3.770 4.594 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.942 5.386 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.103 4.532 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.181 6.309 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.881 6.640 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.032 7.615 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.540 6.697 -5.252 1.00 0.00 H new ATOM 1703 N PRO A 109 5.088 4.638 -9.261 1.00 0.00 N ATOM 1704 CA PRO A 109 5.758 3.610 -10.063 1.00 0.00 C ATOM 1705 C PRO A 109 7.058 3.133 -9.425 1.00 0.00 C ATOM 1706 O PRO A 109 7.549 3.733 -8.468 1.00 0.00 O ATOM 1707 CB PRO A 109 6.041 4.323 -11.388 1.00 0.00 C ATOM 1708 CG PRO A 109 6.105 5.769 -11.034 1.00 0.00 C ATOM 1709 CD PRO A 109 5.130 5.962 -9.905 1.00 0.00 C ATOM 0 HA PRO A 109 5.148 2.713 -10.168 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.977 3.982 -11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.255 4.129 -12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.113 6.053 -10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.841 6.392 -11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.464 6.735 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.148 6.263 -10.269 1.00 0.00 H new ATOM 1717 N LEU A 110 7.613 2.052 -9.962 1.00 0.00 N ATOM 1718 CA LEU A 110 8.858 1.494 -9.445 1.00 0.00 C ATOM 1719 C LEU A 110 9.982 2.524 -9.506 1.00 0.00 C ATOM 1720 O LEU A 110 9.801 3.624 -10.026 1.00 0.00 O ATOM 1721 CB LEU A 110 9.250 0.247 -10.240 1.00 0.00 C ATOM 1722 CG LEU A 110 8.147 -0.792 -10.445 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.581 -1.838 -11.459 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.779 -1.448 -9.122 1.00 0.00 C ATOM 0 H LEU A 110 7.221 1.544 -10.755 1.00 0.00 H new ATOM 0 HA LEU A 110 8.699 1.218 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.610 0.563 -11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.086 -0.235 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 110 7.264 -0.284 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.783 -2.569 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.793 -1.354 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.479 -2.342 -11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.993 -2.184 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.656 -1.942 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.424 -0.688 -8.426 1.00 0.00 H new