USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= -0.0911 (180deg=-0.167) USER MOD Single : A 14 GLN : amide:sc= 0.125 X(o=0.13,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0423) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.3) USER MOD Single : A 26 HIS : no HD1:sc= -0.932 X(o=-0.93,f=-0.57) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.635 X(o=-0.64,f=-0.88) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 40 GLN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0205 K(o=-0.021,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.0035) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0.51 (180deg=0.51) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ASN A 10 -0.518 1.153 6.586 1.00 0.00 N ATOM 98 CA ASN A 10 0.298 0.134 5.916 1.00 0.00 C ATOM 99 C ASN A 10 0.444 0.346 4.406 1.00 0.00 C ATOM 100 O ASN A 10 -0.092 1.301 3.837 1.00 0.00 O ATOM 101 CB ASN A 10 -0.153 -1.289 6.301 1.00 0.00 C ATOM 102 CG ASN A 10 0.171 -1.564 7.758 1.00 0.00 C ATOM 103 OD1 ASN A 10 1.345 -1.628 8.116 1.00 0.00 O ATOM 104 ND2 ASN A 10 -0.830 -1.670 8.613 1.00 0.00 N ATOM 0 HA ASN A 10 1.314 0.256 6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.224 -1.397 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.345 -2.021 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.640 -1.810 9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.793 -1.612 8.281 1.00 0.00 H new ATOM 111 N LEU A 11 1.242 -0.507 3.753 1.00 0.00 N ATOM 112 CA LEU A 11 1.461 -0.459 2.319 1.00 0.00 C ATOM 113 C LEU A 11 0.121 -0.774 1.658 1.00 0.00 C ATOM 114 O LEU A 11 -0.626 -1.615 2.150 1.00 0.00 O ATOM 115 CB LEU A 11 2.601 -1.432 1.938 1.00 0.00 C ATOM 116 CG LEU A 11 2.665 -1.758 0.456 1.00 0.00 C ATOM 117 CD1 LEU A 11 3.013 -0.507 -0.347 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.717 -2.855 0.254 1.00 0.00 C ATOM 0 H LEU A 11 1.756 -1.255 4.219 1.00 0.00 H new ATOM 0 HA LEU A 11 1.789 0.520 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.553 -0.999 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.477 -2.359 2.498 1.00 0.00 H new ATOM 0 HG LEU A 11 1.696 -2.112 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.055 -0.755 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.251 0.254 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.982 -0.126 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.781 -3.107 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.686 -2.498 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.432 -3.741 0.821 1.00 0.00 H new ATOM 130 N LYS A 12 -0.188 -0.158 0.516 1.00 0.00 N ATOM 131 CA LYS A 12 -1.264 -0.642 -0.333 1.00 0.00 C ATOM 132 C LYS A 12 -0.726 -0.928 -1.712 1.00 0.00 C ATOM 133 O LYS A 12 0.265 -0.345 -2.167 1.00 0.00 O ATOM 134 CB LYS A 12 -2.458 0.314 -0.343 1.00 0.00 C ATOM 135 CG LYS A 12 -3.019 0.441 1.077 1.00 0.00 C ATOM 136 CD LYS A 12 -4.495 0.829 1.045 1.00 0.00 C ATOM 137 CE LYS A 12 -5.072 1.057 2.450 1.00 0.00 C ATOM 138 NZ LYS A 12 -4.232 1.861 3.362 1.00 0.00 N ATOM 0 H LYS A 12 0.291 0.671 0.164 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.649 -1.576 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.152 1.292 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.229 -0.056 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.898 -0.504 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.453 1.191 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.616 1.737 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.063 0.045 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.041 1.547 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.252 0.086 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.759 2.056 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.365 1.334 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.981 2.759 2.902 1.00 0.00 H new ATOM 152 N ALA A 13 -1.402 -1.847 -2.385 1.00 0.00 N ATOM 153 CA ALA A 13 -1.146 -2.176 -3.762 1.00 0.00 C ATOM 154 C ALA A 13 -2.499 -2.295 -4.435 1.00 0.00 C ATOM 155 O ALA A 13 -3.421 -2.896 -3.881 1.00 0.00 O ATOM 156 CB ALA A 13 -0.294 -3.443 -3.863 1.00 0.00 C ATOM 0 H ALA A 13 -2.159 -2.392 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.563 -1.407 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.111 -3.676 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.657 -3.283 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.821 -4.274 -3.394 1.00 0.00 H new ATOM 162 N GLN A 14 -2.622 -1.689 -5.612 1.00 0.00 N ATOM 163 CA GLN A 14 -3.798 -1.848 -6.432 1.00 0.00 C ATOM 164 C GLN A 14 -3.592 -3.140 -7.229 1.00 0.00 C ATOM 165 O GLN A 14 -2.583 -3.279 -7.931 1.00 0.00 O ATOM 166 CB GLN A 14 -3.979 -0.589 -7.296 1.00 0.00 C ATOM 167 CG GLN A 14 -5.356 -0.626 -7.968 1.00 0.00 C ATOM 168 CD GLN A 14 -5.675 0.607 -8.816 1.00 0.00 C ATOM 169 OE1 GLN A 14 -4.911 1.029 -9.683 1.00 0.00 O ATOM 170 NE2 GLN A 14 -6.844 1.192 -8.625 1.00 0.00 N ATOM 0 H GLN A 14 -1.909 -1.080 -6.014 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.722 -1.943 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.887 0.305 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.195 -0.537 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.416 -1.512 -8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.121 -0.731 -7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.478 0.842 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.113 1.993 -9.196 1.00 0.00 H new ATOM 179 N ALA A 15 -4.498 -4.107 -7.070 1.00 0.00 N ATOM 180 CA ALA A 15 -4.559 -5.300 -7.897 1.00 0.00 C ATOM 181 C ALA A 15 -4.777 -4.923 -9.354 1.00 0.00 C ATOM 182 O ALA A 15 -5.468 -3.955 -9.664 1.00 0.00 O ATOM 183 CB ALA A 15 -5.680 -6.222 -7.421 1.00 0.00 C ATOM 0 H ALA A 15 -5.219 -4.077 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.610 -5.829 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.712 -7.111 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.495 -6.516 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.634 -5.698 -7.484 1.00 0.00 H new ATOM 189 N LEU A 16 -4.211 -5.720 -10.257 1.00 0.00 N ATOM 190 CA LEU A 16 -4.144 -5.432 -11.687 1.00 0.00 C ATOM 191 C LEU A 16 -4.743 -6.556 -12.536 1.00 0.00 C ATOM 192 O LEU A 16 -4.598 -6.553 -13.760 1.00 0.00 O ATOM 193 CB LEU A 16 -2.695 -5.191 -12.111 1.00 0.00 C ATOM 194 CG LEU A 16 -1.977 -4.046 -11.387 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.552 -4.058 -11.928 1.00 0.00 C ATOM 196 CD2 LEU A 16 -2.667 -2.693 -11.593 1.00 0.00 C ATOM 0 H LEU A 16 -3.775 -6.608 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.737 -4.533 -11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.130 -6.110 -11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.677 -4.988 -13.182 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.995 -4.190 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.024 -3.263 -11.454 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.089 -5.020 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.571 -3.899 -13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.117 -1.919 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.689 -2.454 -12.656 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.687 -2.743 -11.211 1.00 0.00 H new ATOM 208 N CYS A 17 -5.364 -7.543 -11.894 1.00 0.00 N ATOM 209 CA CYS A 17 -5.957 -8.723 -12.496 1.00 0.00 C ATOM 210 C CYS A 17 -7.035 -9.204 -11.524 1.00 0.00 C ATOM 211 O CYS A 17 -6.806 -9.141 -10.321 1.00 0.00 O ATOM 212 CB CYS A 17 -4.851 -9.775 -12.666 1.00 0.00 C ATOM 213 SG CYS A 17 -4.312 -9.851 -14.394 1.00 0.00 S ATOM 0 H CYS A 17 -5.470 -7.535 -10.880 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.398 -8.529 -13.474 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.005 -9.529 -12.025 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.217 -10.752 -12.349 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.375 -10.744 -14.518 1.00 0.00 H new ATOM 219 N SER A 18 -8.186 -9.667 -12.006 1.00 0.00 N ATOM 220 CA SER A 18 -9.235 -10.269 -11.188 1.00 0.00 C ATOM 221 C SER A 18 -8.832 -11.724 -10.920 1.00 0.00 C ATOM 222 O SER A 18 -8.764 -12.515 -11.867 1.00 0.00 O ATOM 223 CB SER A 18 -10.583 -10.137 -11.921 1.00 0.00 C ATOM 224 OG SER A 18 -10.427 -10.102 -13.333 1.00 0.00 O ATOM 0 H SER A 18 -8.420 -9.633 -12.998 1.00 0.00 H new ATOM 0 HA SER A 18 -9.353 -9.767 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.226 -10.974 -11.649 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.087 -9.229 -11.591 1.00 0.00 H new ATOM 0 HG SER A 18 -11.307 -10.019 -13.757 1.00 0.00 H new ATOM 230 N TRP A 19 -8.478 -12.091 -9.685 1.00 0.00 N ATOM 231 CA TRP A 19 -7.924 -13.407 -9.365 1.00 0.00 C ATOM 232 C TRP A 19 -8.578 -13.997 -8.116 1.00 0.00 C ATOM 233 O TRP A 19 -9.008 -13.277 -7.213 1.00 0.00 O ATOM 234 CB TRP A 19 -6.398 -13.312 -9.235 1.00 0.00 C ATOM 235 CG TRP A 19 -5.712 -14.596 -8.883 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.795 -15.750 -9.580 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.954 -14.914 -7.678 1.00 0.00 C ATOM 238 NE1 TRP A 19 -5.115 -16.748 -8.908 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.624 -16.301 -7.700 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.571 -14.180 -6.538 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.977 -16.937 -6.630 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.933 -14.806 -5.453 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.631 -16.177 -5.499 1.00 0.00 C ATOM 0 H TRP A 19 -8.569 -11.478 -8.875 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.148 -14.094 -10.181 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.990 -12.946 -10.177 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.159 -12.569 -8.474 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.314 -15.874 -10.519 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.992 -17.697 -9.262 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.771 -13.119 -6.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.749 -17.992 -6.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.673 -14.229 -4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.132 -16.648 -4.665 1.00 0.00 H new ATOM 254 N THR A 20 -8.663 -15.323 -8.101 1.00 0.00 N ATOM 255 CA THR A 20 -9.404 -16.152 -7.171 1.00 0.00 C ATOM 256 C THR A 20 -8.472 -16.730 -6.105 1.00 0.00 C ATOM 257 O THR A 20 -7.282 -16.941 -6.347 1.00 0.00 O ATOM 258 CB THR A 20 -10.059 -17.279 -7.995 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.165 -17.780 -8.979 1.00 0.00 O ATOM 260 CG2 THR A 20 -11.289 -16.748 -8.737 1.00 0.00 C ATOM 0 H THR A 20 -8.174 -15.886 -8.797 1.00 0.00 H new ATOM 0 HA THR A 20 -10.162 -15.567 -6.649 1.00 0.00 H new ATOM 0 HB THR A 20 -10.332 -18.069 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.604 -18.494 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.742 -17.554 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.013 -16.368 -8.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.989 -15.944 -9.409 1.00 0.00 H new ATOM 268 N ALA A 21 -9.024 -17.059 -4.934 1.00 0.00 N ATOM 269 CA ALA A 21 -8.298 -17.848 -3.953 1.00 0.00 C ATOM 270 C ALA A 21 -8.129 -19.287 -4.465 1.00 0.00 C ATOM 271 O ALA A 21 -8.736 -19.685 -5.461 1.00 0.00 O ATOM 272 CB ALA A 21 -9.031 -17.796 -2.611 1.00 0.00 C ATOM 0 H ALA A 21 -9.966 -16.790 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.301 -17.435 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.486 -18.388 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.094 -16.762 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.036 -18.201 -2.730 1.00 0.00 H new ATOM 278 N LYS A 22 -7.273 -20.064 -3.793 1.00 0.00 N ATOM 279 CA LYS A 22 -7.048 -21.484 -4.071 1.00 0.00 C ATOM 280 C LYS A 22 -6.727 -22.167 -2.754 1.00 0.00 C ATOM 281 O LYS A 22 -7.492 -22.981 -2.236 1.00 0.00 O ATOM 282 CB LYS A 22 -5.894 -21.721 -5.076 1.00 0.00 C ATOM 283 CG LYS A 22 -6.253 -21.455 -6.538 1.00 0.00 C ATOM 284 CD LYS A 22 -5.941 -20.051 -7.061 1.00 0.00 C ATOM 285 CE LYS A 22 -6.819 -19.774 -8.285 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.512 -20.694 -9.402 1.00 0.00 N ATOM 0 H LYS A 22 -6.704 -19.713 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.948 -21.895 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.054 -21.083 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.555 -22.753 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.724 -22.178 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.319 -21.642 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.130 -19.309 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.887 -19.973 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.869 -19.875 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.673 -18.744 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.000 -20.371 -10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.486 -20.705 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.834 -21.653 -9.160 1.00 0.00 H new ATOM 300 N LYS A 23 -5.547 -21.858 -2.221 1.00 0.00 N ATOM 301 CA LYS A 23 -5.126 -22.300 -0.903 1.00 0.00 C ATOM 302 C LYS A 23 -6.003 -21.588 0.122 1.00 0.00 C ATOM 303 O LYS A 23 -6.653 -20.591 -0.207 1.00 0.00 O ATOM 304 CB LYS A 23 -3.649 -21.933 -0.695 1.00 0.00 C ATOM 305 CG LYS A 23 -2.695 -22.465 -1.782 1.00 0.00 C ATOM 306 CD LYS A 23 -2.328 -23.942 -1.589 1.00 0.00 C ATOM 307 CE LYS A 23 -0.893 -24.061 -1.061 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.313 -25.401 -1.261 1.00 0.00 N ATOM 0 H LYS A 23 -4.852 -21.287 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.229 -23.380 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.561 -20.847 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.326 -22.317 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.160 -22.337 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.784 -21.867 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.021 -24.409 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.422 -24.475 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.266 -23.322 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.882 -23.822 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.656 -25.419 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.891 -26.107 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.294 -25.623 -2.277 1.00 0.00 H new ATOM 322 N ASP A 24 -5.972 -22.051 1.365 1.00 0.00 N ATOM 323 CA ASP A 24 -6.721 -21.442 2.466 1.00 0.00 C ATOM 324 C ASP A 24 -6.274 -19.990 2.598 1.00 0.00 C ATOM 325 O ASP A 24 -7.063 -19.051 2.472 1.00 0.00 O ATOM 326 CB ASP A 24 -6.457 -22.156 3.801 1.00 0.00 C ATOM 327 CG ASP A 24 -6.520 -23.667 3.731 1.00 0.00 C ATOM 328 OD1 ASP A 24 -7.492 -24.245 3.204 1.00 0.00 O ATOM 329 OD2 ASP A 24 -5.492 -24.286 4.081 1.00 0.00 O ATOM 0 H ASP A 24 -5.424 -22.865 1.643 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.785 -21.520 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.473 -21.863 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.185 -21.809 4.534 1.00 0.00 H new ATOM 334 N ASN A 25 -4.965 -19.820 2.800 1.00 0.00 N ATOM 335 CA ASN A 25 -4.312 -18.567 3.133 1.00 0.00 C ATOM 336 C ASN A 25 -3.958 -17.812 1.844 1.00 0.00 C ATOM 337 O ASN A 25 -2.812 -17.410 1.634 1.00 0.00 O ATOM 338 CB ASN A 25 -3.099 -18.892 4.026 1.00 0.00 C ATOM 339 CG ASN A 25 -2.694 -17.714 4.902 1.00 0.00 C ATOM 340 OD1 ASN A 25 -2.808 -16.562 4.503 1.00 0.00 O ATOM 341 ND2 ASN A 25 -2.228 -17.989 6.108 1.00 0.00 N ATOM 0 H ASN A 25 -4.306 -20.595 2.731 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.964 -17.898 3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.335 -19.748 4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.256 -19.182 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.952 -17.232 6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.144 -18.959 6.413 1.00 0.00 H new ATOM 348 N HIS A 26 -4.924 -17.688 0.927 1.00 0.00 N ATOM 349 CA HIS A 26 -4.846 -16.865 -0.277 1.00 0.00 C ATOM 350 C HIS A 26 -5.851 -15.729 -0.160 1.00 0.00 C ATOM 351 O HIS A 26 -6.988 -15.948 0.264 1.00 0.00 O ATOM 352 CB HIS A 26 -5.184 -17.660 -1.551 1.00 0.00 C ATOM 353 CG HIS A 26 -4.038 -18.386 -2.202 1.00 0.00 C ATOM 354 ND1 HIS A 26 -4.033 -18.858 -3.496 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.801 -18.619 -1.669 1.00 0.00 C ATOM 356 CE1 HIS A 26 -2.821 -19.387 -3.729 1.00 0.00 C ATOM 357 NE2 HIS A 26 -2.037 -19.265 -2.645 1.00 0.00 N ATOM 0 H HIS A 26 -5.814 -18.179 1.010 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.822 -16.500 -0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.957 -18.389 -1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.614 -16.973 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.474 -18.352 -0.675 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.519 -19.847 -4.658 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.072 -19.582 -2.552 1.00 0.00 H new ATOM 365 N LEU A 27 -5.424 -14.542 -0.576 1.00 0.00 N ATOM 366 CA LEU A 27 -6.273 -13.384 -0.808 1.00 0.00 C ATOM 367 C LEU A 27 -6.937 -13.589 -2.177 1.00 0.00 C ATOM 368 O LEU A 27 -6.346 -14.231 -3.050 1.00 0.00 O ATOM 369 CB LEU A 27 -5.351 -12.145 -0.766 1.00 0.00 C ATOM 370 CG LEU A 27 -5.984 -10.762 -0.549 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.779 -10.315 -1.768 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.787 -10.697 0.748 1.00 0.00 C ATOM 0 H LEU A 27 -4.440 -14.355 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.060 -13.250 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.621 -12.303 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.798 -12.112 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.173 -10.043 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.213 -9.333 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.118 -10.260 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.576 -11.032 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.216 -9.701 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.587 -11.436 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.131 -10.907 1.593 1.00 0.00 H new ATOM 384 N ASN A 28 -8.129 -13.036 -2.398 1.00 0.00 N ATOM 385 CA ASN A 28 -8.756 -12.921 -3.715 1.00 0.00 C ATOM 386 C ASN A 28 -9.238 -11.488 -3.927 1.00 0.00 C ATOM 387 O ASN A 28 -9.797 -10.884 -3.010 1.00 0.00 O ATOM 388 CB ASN A 28 -9.893 -13.937 -3.884 1.00 0.00 C ATOM 389 CG ASN A 28 -11.259 -13.486 -3.377 1.00 0.00 C ATOM 390 OD1 ASN A 28 -12.112 -13.089 -4.164 1.00 0.00 O ATOM 391 ND2 ASN A 28 -11.521 -13.588 -2.090 1.00 0.00 N ATOM 0 H ASN A 28 -8.700 -12.646 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.017 -13.154 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.981 -14.184 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.617 -14.854 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.444 -13.335 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.801 -13.920 -1.448 1.00 0.00 H new ATOM 398 N PHE A 29 -9.006 -10.945 -5.121 1.00 0.00 N ATOM 399 CA PHE A 29 -9.324 -9.567 -5.471 1.00 0.00 C ATOM 400 C PHE A 29 -9.878 -9.489 -6.881 1.00 0.00 C ATOM 401 O PHE A 29 -9.823 -10.428 -7.682 1.00 0.00 O ATOM 402 CB PHE A 29 -8.103 -8.632 -5.346 1.00 0.00 C ATOM 403 CG PHE A 29 -6.775 -9.192 -5.850 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.601 -9.530 -7.204 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.700 -9.384 -4.960 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.386 -10.080 -7.651 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.494 -9.957 -5.400 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.338 -10.311 -6.748 1.00 0.00 C ATOM 0 H PHE A 29 -8.581 -11.466 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.078 -9.230 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.317 -7.713 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.985 -8.360 -4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.406 -9.366 -7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.804 -9.087 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.259 -10.326 -8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.688 -10.124 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.416 -10.759 -7.089 1.00 0.00 H new ATOM 418 N SER A 30 -10.372 -8.304 -7.186 1.00 0.00 N ATOM 419 CA SER A 30 -10.825 -7.876 -8.480 1.00 0.00 C ATOM 420 C SER A 30 -9.758 -7.038 -9.184 1.00 0.00 C ATOM 421 O SER A 30 -8.763 -6.625 -8.587 1.00 0.00 O ATOM 422 CB SER A 30 -12.047 -7.032 -8.213 1.00 0.00 C ATOM 423 OG SER A 30 -13.071 -7.809 -7.613 1.00 0.00 O ATOM 0 H SER A 30 -10.471 -7.571 -6.483 1.00 0.00 H new ATOM 0 HA SER A 30 -11.039 -8.726 -9.128 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.785 -6.200 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.409 -6.602 -9.147 1.00 0.00 H new ATOM 0 HG SER A 30 -13.854 -7.245 -7.446 1.00 0.00 H new ATOM 429 N LYS A 31 -9.978 -6.757 -10.467 1.00 0.00 N ATOM 430 CA LYS A 31 -9.107 -5.880 -11.229 1.00 0.00 C ATOM 431 C LYS A 31 -9.329 -4.453 -10.748 1.00 0.00 C ATOM 432 O LYS A 31 -10.464 -3.990 -10.685 1.00 0.00 O ATOM 433 CB LYS A 31 -9.414 -6.061 -12.720 1.00 0.00 C ATOM 434 CG LYS A 31 -8.211 -5.632 -13.554 1.00 0.00 C ATOM 435 CD LYS A 31 -8.392 -5.962 -15.036 1.00 0.00 C ATOM 436 CE LYS A 31 -7.126 -5.516 -15.766 1.00 0.00 C ATOM 437 NZ LYS A 31 -7.000 -6.145 -17.096 1.00 0.00 N ATOM 0 H LYS A 31 -10.762 -7.131 -11.001 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.054 -6.120 -11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.657 -7.103 -12.926 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.287 -5.470 -12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.054 -4.560 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.315 -6.128 -13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.557 -7.031 -15.173 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.266 -5.450 -15.438 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.136 -4.432 -15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.253 -5.766 -15.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.128 -5.814 -17.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.964 -7.179 -16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.819 -5.886 -17.682 1.00 0.00 H new ATOM 451 N HIS A 32 -8.226 -3.776 -10.434 1.00 0.00 N ATOM 452 CA HIS A 32 -8.110 -2.392 -10.009 1.00 0.00 C ATOM 453 C HIS A 32 -8.486 -2.182 -8.540 1.00 0.00 C ATOM 454 O HIS A 32 -8.546 -1.030 -8.096 1.00 0.00 O ATOM 455 CB HIS A 32 -8.847 -1.406 -10.936 1.00 0.00 C ATOM 456 CG HIS A 32 -8.770 -1.730 -12.406 1.00 0.00 C ATOM 457 ND1 HIS A 32 -9.829 -2.155 -13.173 1.00 0.00 N ATOM 458 CD2 HIS A 32 -7.650 -1.741 -13.190 1.00 0.00 C ATOM 459 CE1 HIS A 32 -9.359 -2.432 -14.400 1.00 0.00 C ATOM 460 NE2 HIS A 32 -8.040 -2.168 -14.466 1.00 0.00 N ATOM 0 H HIS A 32 -7.312 -4.227 -10.476 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.049 -2.160 -10.095 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.896 -1.371 -10.642 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.438 -0.408 -10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.651 -1.471 -12.883 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.954 -2.812 -15.217 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.441 -2.261 -15.286 1.00 0.00 H new ATOM 468 N ASP A 33 -8.765 -3.237 -7.776 1.00 0.00 N ATOM 469 CA ASP A 33 -9.162 -3.097 -6.375 1.00 0.00 C ATOM 470 C ASP A 33 -7.937 -2.827 -5.510 1.00 0.00 C ATOM 471 O ASP A 33 -6.814 -3.136 -5.901 1.00 0.00 O ATOM 472 CB ASP A 33 -9.978 -4.317 -5.918 1.00 0.00 C ATOM 473 CG ASP A 33 -11.457 -4.011 -6.193 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.793 -3.600 -7.327 1.00 0.00 O ATOM 475 OD2 ASP A 33 -12.300 -4.107 -5.275 1.00 0.00 O ATOM 0 H ASP A 33 -8.723 -4.202 -8.105 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.821 -2.236 -6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.665 -5.211 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.817 -4.511 -4.857 1.00 0.00 H new ATOM 480 N ILE A 34 -8.133 -2.210 -4.349 1.00 0.00 N ATOM 481 CA ILE A 34 -7.058 -1.768 -3.468 1.00 0.00 C ATOM 482 C ILE A 34 -7.028 -2.715 -2.288 1.00 0.00 C ATOM 483 O ILE A 34 -8.057 -2.914 -1.639 1.00 0.00 O ATOM 484 CB ILE A 34 -7.320 -0.318 -3.019 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.216 0.644 -4.223 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.416 0.099 -1.841 1.00 0.00 C ATOM 487 CD1 ILE A 34 -5.802 1.160 -4.469 1.00 0.00 C ATOM 0 H ILE A 34 -9.063 -1.999 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.094 -1.782 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.340 -0.258 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.568 0.132 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.880 1.492 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.637 1.129 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.601 -0.557 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.371 0.021 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.804 1.830 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.454 1.700 -3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.137 0.319 -4.665 1.00 0.00 H new ATOM 499 N ILE A 35 -5.854 -3.260 -1.985 1.00 0.00 N ATOM 500 CA ILE A 35 -5.686 -4.232 -0.922 1.00 0.00 C ATOM 501 C ILE A 35 -4.656 -3.640 0.032 1.00 0.00 C ATOM 502 O ILE A 35 -3.645 -3.074 -0.401 1.00 0.00 O ATOM 503 CB ILE A 35 -5.330 -5.606 -1.540 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.373 -5.995 -2.626 1.00 0.00 C ATOM 505 CG2 ILE A 35 -5.115 -6.709 -0.482 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.850 -5.845 -4.046 1.00 0.00 C ATOM 0 H ILE A 35 -4.989 -3.035 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.589 -4.428 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.362 -5.508 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.683 -7.028 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.261 -5.374 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.869 -7.647 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.298 -6.424 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.027 -6.836 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.628 -6.133 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.566 -4.807 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.980 -6.487 -4.183 1.00 0.00 H new ATOM 518 N THR A 36 -4.959 -3.726 1.325 1.00 0.00 N ATOM 519 CA THR A 36 -4.073 -3.360 2.410 1.00 0.00 C ATOM 520 C THR A 36 -2.984 -4.421 2.431 1.00 0.00 C ATOM 521 O THR A 36 -3.242 -5.545 2.845 1.00 0.00 O ATOM 522 CB THR A 36 -4.901 -3.303 3.707 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.812 -2.215 3.608 1.00 0.00 O ATOM 524 CG2 THR A 36 -4.037 -3.122 4.953 1.00 0.00 C ATOM 0 H THR A 36 -5.864 -4.066 1.650 1.00 0.00 H new ATOM 0 HA THR A 36 -3.608 -2.381 2.296 1.00 0.00 H new ATOM 0 HB THR A 36 -5.422 -4.255 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.350 -2.164 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.675 -3.089 5.836 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.342 -3.957 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.477 -2.190 4.875 1.00 0.00 H new ATOM 532 N VAL A 37 -1.803 -4.111 1.908 1.00 0.00 N ATOM 533 CA VAL A 37 -0.638 -4.965 2.036 1.00 0.00 C ATOM 534 C VAL A 37 -0.199 -4.900 3.493 1.00 0.00 C ATOM 535 O VAL A 37 -0.365 -3.888 4.176 1.00 0.00 O ATOM 536 CB VAL A 37 0.480 -4.495 1.089 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.662 -5.480 1.089 1.00 0.00 C ATOM 538 CG2 VAL A 37 -0.023 -4.372 -0.359 1.00 0.00 C ATOM 0 H VAL A 37 -1.631 -3.255 1.381 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.870 -5.993 1.758 1.00 0.00 H new ATOM 0 HB VAL A 37 0.801 -3.520 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.435 -5.120 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.071 -5.558 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.318 -6.461 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.793 -4.038 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.381 -5.342 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.837 -3.649 -0.401 1.00 0.00 H new ATOM 548 N LEU A 38 0.365 -6.003 3.959 1.00 0.00 N ATOM 549 CA LEU A 38 0.766 -6.201 5.331 1.00 0.00 C ATOM 550 C LEU A 38 2.197 -6.705 5.281 1.00 0.00 C ATOM 551 O LEU A 38 3.133 -5.919 5.411 1.00 0.00 O ATOM 552 CB LEU A 38 -0.231 -7.166 5.999 1.00 0.00 C ATOM 553 CG LEU A 38 -1.643 -6.567 6.171 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.681 -7.675 6.409 1.00 0.00 C ATOM 555 CD2 LEU A 38 -1.647 -5.540 7.307 1.00 0.00 C ATOM 0 H LEU A 38 0.560 -6.810 3.366 1.00 0.00 H new ATOM 0 HA LEU A 38 0.747 -5.295 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.301 -8.075 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.154 -7.455 6.977 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.921 -6.053 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.669 -7.229 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.690 -8.355 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.422 -8.228 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.649 -5.125 7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.350 -6.025 8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.946 -4.739 7.075 1.00 0.00 H new ATOM 567 N GLU A 39 2.378 -7.984 4.965 1.00 0.00 N ATOM 568 CA GLU A 39 3.674 -8.651 4.988 1.00 0.00 C ATOM 569 C GLU A 39 4.119 -8.869 3.542 1.00 0.00 C ATOM 570 O GLU A 39 3.296 -8.826 2.625 1.00 0.00 O ATOM 571 CB GLU A 39 3.537 -10.002 5.713 1.00 0.00 C ATOM 572 CG GLU A 39 4.695 -10.294 6.679 1.00 0.00 C ATOM 573 CD GLU A 39 4.466 -9.703 8.076 1.00 0.00 C ATOM 574 OE1 GLU A 39 3.334 -9.833 8.610 1.00 0.00 O ATOM 575 OE2 GLU A 39 5.420 -9.178 8.690 1.00 0.00 O ATOM 0 H GLU A 39 1.613 -8.596 4.681 1.00 0.00 H new ATOM 0 HA GLU A 39 4.412 -8.046 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.599 -10.015 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.481 -10.800 4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.829 -11.372 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.619 -9.889 6.265 1.00 0.00 H new ATOM 582 N GLN A 40 5.408 -9.107 3.305 1.00 0.00 N ATOM 583 CA GLN A 40 5.942 -9.287 1.962 1.00 0.00 C ATOM 584 C GLN A 40 7.007 -10.387 1.993 1.00 0.00 C ATOM 585 O GLN A 40 7.862 -10.373 2.878 1.00 0.00 O ATOM 586 CB GLN A 40 6.507 -7.947 1.456 1.00 0.00 C ATOM 587 CG GLN A 40 5.491 -6.791 1.369 1.00 0.00 C ATOM 588 CD GLN A 40 6.121 -5.540 0.761 1.00 0.00 C ATOM 589 OE1 GLN A 40 6.588 -4.644 1.461 1.00 0.00 O ATOM 590 NE2 GLN A 40 6.150 -5.443 -0.558 1.00 0.00 N ATOM 0 H GLN A 40 6.110 -9.180 4.042 1.00 0.00 H new ATOM 0 HA GLN A 40 5.158 -9.597 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.321 -7.644 2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.938 -8.104 0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.637 -7.100 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.112 -6.562 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.761 -6.190 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.562 -4.621 -1.000 1.00 0.00 H new ATOM 599 N GLN A 41 6.981 -11.310 1.029 1.00 0.00 N ATOM 600 CA GLN A 41 8.018 -12.312 0.760 1.00 0.00 C ATOM 601 C GLN A 41 8.474 -12.215 -0.707 1.00 0.00 C ATOM 602 O GLN A 41 8.010 -11.351 -1.455 1.00 0.00 O ATOM 603 CB GLN A 41 7.532 -13.739 1.101 1.00 0.00 C ATOM 604 CG GLN A 41 6.962 -13.866 2.521 1.00 0.00 C ATOM 605 CD GLN A 41 7.154 -15.228 3.197 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.059 -15.993 2.889 1.00 0.00 O ATOM 607 NE2 GLN A 41 6.313 -15.554 4.165 1.00 0.00 N ATOM 0 H GLN A 41 6.197 -11.383 0.381 1.00 0.00 H new ATOM 0 HA GLN A 41 8.871 -12.104 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.768 -14.036 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.363 -14.435 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.423 -13.102 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.895 -13.647 2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.559 -14.917 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.419 -16.443 4.655 1.00 0.00 H new ATOM 616 N GLU A 42 9.371 -13.125 -1.115 1.00 0.00 N ATOM 617 CA GLU A 42 10.128 -13.167 -2.373 1.00 0.00 C ATOM 618 C GLU A 42 9.306 -12.759 -3.608 1.00 0.00 C ATOM 619 O GLU A 42 9.737 -11.963 -4.452 1.00 0.00 O ATOM 620 CB GLU A 42 10.757 -14.579 -2.514 1.00 0.00 C ATOM 621 CG GLU A 42 9.768 -15.704 -2.892 1.00 0.00 C ATOM 622 CD GLU A 42 10.266 -17.130 -2.597 1.00 0.00 C ATOM 623 OE1 GLU A 42 10.493 -17.474 -1.416 1.00 0.00 O ATOM 624 OE2 GLU A 42 10.353 -17.946 -3.549 1.00 0.00 O ATOM 0 H GLU A 42 9.605 -13.920 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 42 10.915 -12.415 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.541 -14.536 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.238 -14.841 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.834 -15.542 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.541 -15.627 -3.955 1.00 0.00 H new ATOM 631 N ASN A 43 8.103 -13.319 -3.729 1.00 0.00 N ATOM 632 CA ASN A 43 7.207 -13.077 -4.851 1.00 0.00 C ATOM 633 C ASN A 43 5.745 -13.062 -4.445 1.00 0.00 C ATOM 634 O ASN A 43 4.887 -12.846 -5.299 1.00 0.00 O ATOM 635 CB ASN A 43 7.451 -14.105 -5.969 1.00 0.00 C ATOM 636 CG ASN A 43 7.806 -13.374 -7.246 1.00 0.00 C ATOM 637 OD1 ASN A 43 7.051 -13.366 -8.213 1.00 0.00 O ATOM 638 ND2 ASN A 43 8.952 -12.715 -7.255 1.00 0.00 N ATOM 0 H ASN A 43 7.721 -13.964 -3.037 1.00 0.00 H new ATOM 0 HA ASN A 43 7.436 -12.080 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.257 -14.783 -5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.560 -14.715 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.228 -12.182 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.561 -12.739 -6.437 1.00 0.00 H new ATOM 645 N TRP A 44 5.459 -13.272 -3.163 1.00 0.00 N ATOM 646 CA TRP A 44 4.125 -13.329 -2.607 1.00 0.00 C ATOM 647 C TRP A 44 4.071 -12.310 -1.493 1.00 0.00 C ATOM 648 O TRP A 44 5.010 -12.271 -0.704 1.00 0.00 O ATOM 649 CB TRP A 44 3.850 -14.731 -2.061 1.00 0.00 C ATOM 650 CG TRP A 44 3.595 -15.754 -3.128 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.528 -16.365 -3.894 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.308 -16.251 -3.606 1.00 0.00 C ATOM 653 NE1 TRP A 44 3.897 -17.159 -4.832 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.525 -17.093 -4.732 1.00 0.00 C ATOM 655 CE3 TRP A 44 0.976 -16.077 -3.191 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.465 -17.673 -5.451 1.00 0.00 C ATOM 657 CZ3 TRP A 44 -0.103 -16.658 -3.874 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.145 -17.432 -5.020 1.00 0.00 C ATOM 0 H TRP A 44 6.185 -13.412 -2.461 1.00 0.00 H new ATOM 0 HA TRP A 44 3.371 -13.113 -3.364 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.701 -15.051 -1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.987 -14.690 -1.396 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.597 -16.250 -3.789 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.390 -17.729 -5.519 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.777 -15.475 -2.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.658 -18.290 -6.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.114 -16.512 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.683 -17.846 -5.576 1.00 0.00 H new ATOM 669 N TRP A 45 3.009 -11.513 -1.399 1.00 0.00 N ATOM 670 CA TRP A 45 2.782 -10.592 -0.290 1.00 0.00 C ATOM 671 C TRP A 45 1.500 -11.006 0.404 1.00 0.00 C ATOM 672 O TRP A 45 0.667 -11.680 -0.196 1.00 0.00 O ATOM 673 CB TRP A 45 2.701 -9.143 -0.780 1.00 0.00 C ATOM 674 CG TRP A 45 3.892 -8.599 -1.505 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.124 -9.151 -1.545 1.00 0.00 C ATOM 676 CD2 TRP A 45 3.954 -7.418 -2.350 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.943 -8.406 -2.371 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.256 -7.346 -2.927 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.016 -6.441 -2.737 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.585 -6.384 -3.893 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.350 -5.451 -3.678 1.00 0.00 C ATOM 682 CH2 TRP A 45 4.632 -5.421 -4.258 1.00 0.00 C ATOM 0 H TRP A 45 2.271 -11.489 -2.103 1.00 0.00 H new ATOM 0 HA TRP A 45 3.617 -10.639 0.409 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.836 -9.057 -1.438 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.510 -8.505 0.083 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.424 -10.041 -1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.926 -8.612 -2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.026 -6.452 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.563 -6.384 -4.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.618 -4.708 -3.958 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.881 -4.659 -4.982 1.00 0.00 H new ATOM 693 N PHE A 46 1.358 -10.618 1.661 1.00 0.00 N ATOM 694 CA PHE A 46 0.167 -10.837 2.459 1.00 0.00 C ATOM 695 C PHE A 46 -0.594 -9.523 2.519 1.00 0.00 C ATOM 696 O PHE A 46 0.018 -8.450 2.523 1.00 0.00 O ATOM 697 CB PHE A 46 0.598 -11.297 3.851 1.00 0.00 C ATOM 698 CG PHE A 46 -0.510 -11.652 4.817 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.273 -12.816 4.613 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.728 -10.869 5.965 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.275 -13.172 5.533 1.00 0.00 C ATOM 702 CE2 PHE A 46 -1.741 -11.214 6.872 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.512 -12.366 6.657 1.00 0.00 C ATOM 0 H PHE A 46 2.094 -10.126 2.168 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.479 -11.603 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.244 -12.168 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.202 -10.508 4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.089 -13.437 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.114 -10.000 6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.862 -14.065 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.927 -10.593 7.736 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.289 -12.633 7.358 1.00 0.00 H new ATOM 713 N GLY A 47 -1.918 -9.576 2.594 1.00 0.00 N ATOM 714 CA GLY A 47 -2.727 -8.376 2.673 1.00 0.00 C ATOM 715 C GLY A 47 -4.170 -8.697 3.010 1.00 0.00 C ATOM 716 O GLY A 47 -4.497 -9.866 3.207 1.00 0.00 O ATOM 0 H GLY A 47 -2.453 -10.445 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.316 -7.708 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.684 -7.844 1.722 1.00 0.00 H new ATOM 720 N GLU A 48 -5.007 -7.662 3.081 1.00 0.00 N ATOM 721 CA GLU A 48 -6.411 -7.697 3.457 1.00 0.00 C ATOM 722 C GLU A 48 -7.244 -6.854 2.491 1.00 0.00 C ATOM 723 O GLU A 48 -6.913 -5.693 2.230 1.00 0.00 O ATOM 724 CB GLU A 48 -6.568 -7.183 4.902 1.00 0.00 C ATOM 725 CG GLU A 48 -8.044 -7.113 5.350 1.00 0.00 C ATOM 726 CD GLU A 48 -8.305 -6.604 6.771 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.609 -5.675 7.238 1.00 0.00 O ATOM 728 OE2 GLU A 48 -9.234 -7.111 7.438 1.00 0.00 O ATOM 0 H GLU A 48 -4.696 -6.716 2.862 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.772 -8.724 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.018 -7.837 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.120 -6.192 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.582 -6.470 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.475 -8.110 5.261 1.00 0.00 H new ATOM 735 N VAL A 49 -8.325 -7.432 1.965 1.00 0.00 N ATOM 736 CA VAL A 49 -9.396 -6.711 1.274 1.00 0.00 C ATOM 737 C VAL A 49 -10.719 -7.464 1.491 1.00 0.00 C ATOM 738 O VAL A 49 -10.698 -8.668 1.748 1.00 0.00 O ATOM 739 CB VAL A 49 -8.997 -6.489 -0.201 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.830 -7.799 -0.968 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.897 -5.540 -0.983 1.00 0.00 C ATOM 0 H VAL A 49 -8.484 -8.439 2.009 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.550 -5.712 1.682 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.029 -5.993 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.549 -7.584 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.051 -8.399 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.770 -8.350 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.532 -5.452 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.915 -5.930 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.889 -4.558 -0.510 1.00 0.00 H new ATOM 751 N HIS A 50 -11.864 -6.780 1.389 1.00 0.00 N ATOM 752 CA HIS A 50 -13.208 -7.362 1.503 1.00 0.00 C ATOM 753 C HIS A 50 -13.333 -8.258 2.740 1.00 0.00 C ATOM 754 O HIS A 50 -13.750 -9.419 2.655 1.00 0.00 O ATOM 755 CB HIS A 50 -13.602 -8.083 0.204 1.00 0.00 C ATOM 756 CG HIS A 50 -13.527 -7.213 -1.022 1.00 0.00 C ATOM 757 ND1 HIS A 50 -14.218 -6.036 -1.223 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.804 -7.484 -2.152 1.00 0.00 C ATOM 759 CE1 HIS A 50 -13.910 -5.598 -2.455 1.00 0.00 C ATOM 760 NE2 HIS A 50 -13.056 -6.446 -3.054 1.00 0.00 N ATOM 0 H HIS A 50 -11.882 -5.774 1.219 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.921 -6.550 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.950 -8.945 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.618 -8.465 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.162 -8.337 -2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.294 -4.693 -2.901 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.665 -6.350 -3.991 1.00 0.00 H new ATOM 768 N GLY A 51 -12.911 -7.720 3.888 1.00 0.00 N ATOM 769 CA GLY A 51 -13.017 -8.384 5.177 1.00 0.00 C ATOM 770 C GLY A 51 -12.254 -9.709 5.256 1.00 0.00 C ATOM 771 O GLY A 51 -12.533 -10.502 6.163 1.00 0.00 O ATOM 0 H GLY A 51 -12.481 -6.797 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.644 -7.714 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.069 -8.568 5.395 1.00 0.00 H new ATOM 775 N GLY A 52 -11.324 -9.991 4.341 1.00 0.00 N ATOM 776 CA GLY A 52 -10.534 -11.210 4.329 1.00 0.00 C ATOM 777 C GLY A 52 -9.077 -10.898 4.059 1.00 0.00 C ATOM 778 O GLY A 52 -8.734 -9.831 3.561 1.00 0.00 O ATOM 0 H GLY A 52 -11.099 -9.359 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.631 -11.722 5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.914 -11.888 3.565 1.00 0.00 H new ATOM 782 N ARG A 53 -8.212 -11.839 4.412 1.00 0.00 N ATOM 783 CA ARG A 53 -6.763 -11.734 4.346 1.00 0.00 C ATOM 784 C ARG A 53 -6.223 -12.940 3.584 1.00 0.00 C ATOM 785 O ARG A 53 -6.937 -13.923 3.344 1.00 0.00 O ATOM 786 CB ARG A 53 -6.165 -11.660 5.769 1.00 0.00 C ATOM 787 CG ARG A 53 -5.901 -10.269 6.313 1.00 0.00 C ATOM 788 CD ARG A 53 -5.490 -10.300 7.794 1.00 0.00 C ATOM 789 NE ARG A 53 -6.681 -10.413 8.651 1.00 0.00 N ATOM 790 CZ ARG A 53 -7.436 -9.372 9.015 1.00 0.00 C ATOM 791 NH1 ARG A 53 -6.918 -8.152 9.064 1.00 0.00 N ATOM 792 NH2 ARG A 53 -8.719 -9.543 9.298 1.00 0.00 N ATOM 0 H ARG A 53 -8.520 -12.743 4.771 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.477 -10.821 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.842 -12.172 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.226 -12.214 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.114 -9.794 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.796 -9.658 6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.821 -11.142 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.938 -9.394 8.044 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.946 -11.339 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.938 -8.004 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.500 -7.362 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.135 -10.472 9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.291 -8.745 9.575 1.00 0.00 H new ATOM 806 N GLY A 54 -4.948 -12.879 3.216 1.00 0.00 N ATOM 807 CA GLY A 54 -4.257 -13.995 2.612 1.00 0.00 C ATOM 808 C GLY A 54 -3.028 -13.553 1.839 1.00 0.00 C ATOM 809 O GLY A 54 -2.762 -12.357 1.690 1.00 0.00 O ATOM 0 H GLY A 54 -4.369 -12.047 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.962 -14.702 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.936 -14.522 1.942 1.00 0.00 H new ATOM 813 N TRP A 55 -2.279 -14.530 1.331 1.00 0.00 N ATOM 814 CA TRP A 55 -1.141 -14.293 0.457 1.00 0.00 C ATOM 815 C TRP A 55 -1.591 -14.111 -0.983 1.00 0.00 C ATOM 816 O TRP A 55 -2.635 -14.638 -1.382 1.00 0.00 O ATOM 817 CB TRP A 55 -0.158 -15.458 0.571 1.00 0.00 C ATOM 818 CG TRP A 55 0.544 -15.452 1.881 1.00 0.00 C ATOM 819 CD1 TRP A 55 0.112 -16.025 3.024 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.723 -14.683 2.233 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.955 -15.674 4.057 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.933 -14.795 3.639 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.599 -13.835 1.525 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.932 -14.065 4.305 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.537 -13.067 2.182 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.729 -13.169 3.572 1.00 0.00 C ATOM 0 H TRP A 55 -2.450 -15.518 1.519 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.644 -13.374 0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.693 -16.400 0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.573 -15.399 -0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.758 -16.659 3.115 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.867 -16.021 5.012 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.534 -13.786 0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.085 -14.191 5.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.138 -12.371 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.477 -12.568 4.068 1.00 0.00 H new ATOM 837 N PHE A 56 -0.774 -13.434 -1.790 1.00 0.00 N ATOM 838 CA PHE A 56 -1.043 -13.296 -3.227 1.00 0.00 C ATOM 839 C PHE A 56 0.267 -13.106 -3.988 1.00 0.00 C ATOM 840 O PHE A 56 1.189 -12.519 -3.420 1.00 0.00 O ATOM 841 CB PHE A 56 -2.000 -12.123 -3.480 1.00 0.00 C ATOM 842 CG PHE A 56 -1.552 -10.803 -2.885 1.00 0.00 C ATOM 843 CD1 PHE A 56 -0.718 -9.936 -3.618 1.00 0.00 C ATOM 844 CD2 PHE A 56 -1.953 -10.453 -1.582 1.00 0.00 C ATOM 845 CE1 PHE A 56 -0.284 -8.727 -3.045 1.00 0.00 C ATOM 846 CE2 PHE A 56 -1.528 -9.240 -1.018 1.00 0.00 C ATOM 847 CZ PHE A 56 -0.696 -8.377 -1.746 1.00 0.00 C ATOM 0 H PHE A 56 0.080 -12.972 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.521 -14.206 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.124 -11.998 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.979 -12.376 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.412 -10.200 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.588 -11.118 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.365 -8.068 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.843 -8.970 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.372 -7.444 -1.310 1.00 0.00 H new ATOM 857 N PRO A 57 0.397 -13.564 -5.248 1.00 0.00 N ATOM 858 CA PRO A 57 1.603 -13.317 -6.017 1.00 0.00 C ATOM 859 C PRO A 57 1.662 -11.820 -6.301 1.00 0.00 C ATOM 860 O PRO A 57 0.771 -11.271 -6.954 1.00 0.00 O ATOM 861 CB PRO A 57 1.498 -14.137 -7.305 1.00 0.00 C ATOM 862 CG PRO A 57 0.100 -14.758 -7.293 1.00 0.00 C ATOM 863 CD PRO A 57 -0.626 -14.150 -6.099 1.00 0.00 C ATOM 0 HA PRO A 57 2.512 -13.608 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.638 -13.506 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.268 -14.908 -7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.429 -14.543 -8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.157 -15.843 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.341 -13.394 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.190 -14.911 -5.560 1.00 0.00 H new ATOM 871 N LYS A 58 2.722 -11.151 -5.852 1.00 0.00 N ATOM 872 CA LYS A 58 2.865 -9.707 -5.992 1.00 0.00 C ATOM 873 C LYS A 58 2.798 -9.254 -7.442 1.00 0.00 C ATOM 874 O LYS A 58 2.542 -8.081 -7.704 1.00 0.00 O ATOM 875 CB LYS A 58 4.172 -9.233 -5.349 1.00 0.00 C ATOM 876 CG LYS A 58 5.340 -9.055 -6.343 1.00 0.00 C ATOM 877 CD LYS A 58 6.705 -9.136 -5.661 1.00 0.00 C ATOM 878 CE LYS A 58 7.894 -9.148 -6.623 1.00 0.00 C ATOM 879 NZ LYS A 58 9.195 -9.412 -5.950 1.00 0.00 N ATOM 0 H LYS A 58 3.507 -11.599 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 58 2.021 -9.252 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.992 -8.284 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.468 -9.950 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.277 -9.822 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.244 -8.091 -6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.810 -8.288 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.739 -10.038 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.727 -9.908 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.947 -8.188 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.958 -9.407 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.375 -8.673 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.162 -10.340 -5.483 1.00 0.00 H new ATOM 893 N SER A 59 3.101 -10.146 -8.383 1.00 0.00 N ATOM 894 CA SER A 59 3.156 -9.770 -9.773 1.00 0.00 C ATOM 895 C SER A 59 1.777 -9.236 -10.212 1.00 0.00 C ATOM 896 O SER A 59 1.694 -8.310 -11.015 1.00 0.00 O ATOM 897 CB SER A 59 3.640 -10.975 -10.583 1.00 0.00 C ATOM 898 OG SER A 59 4.004 -10.611 -11.895 1.00 0.00 O ATOM 0 H SER A 59 3.310 -11.127 -8.198 1.00 0.00 H new ATOM 0 HA SER A 59 3.866 -8.961 -9.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.494 -11.431 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.853 -11.728 -10.620 1.00 0.00 H new ATOM 0 HG SER A 59 4.309 -11.405 -12.382 1.00 0.00 H new ATOM 904 N TYR A 60 0.693 -9.750 -9.620 1.00 0.00 N ATOM 905 CA TYR A 60 -0.687 -9.422 -9.964 1.00 0.00 C ATOM 906 C TYR A 60 -1.095 -8.008 -9.544 1.00 0.00 C ATOM 907 O TYR A 60 -2.238 -7.631 -9.793 1.00 0.00 O ATOM 908 CB TYR A 60 -1.632 -10.456 -9.319 1.00 0.00 C ATOM 909 CG TYR A 60 -1.600 -11.814 -9.993 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.413 -12.564 -10.005 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.744 -12.318 -10.641 1.00 0.00 C ATOM 912 CE1 TYR A 60 -0.328 -13.765 -10.716 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.669 -13.519 -11.368 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.450 -14.228 -11.432 1.00 0.00 C ATOM 915 OH TYR A 60 -1.338 -15.341 -12.200 1.00 0.00 O ATOM 0 H TYR A 60 0.760 -10.429 -8.862 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.764 -9.456 -11.051 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.364 -10.575 -8.269 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.651 -10.070 -9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.447 -12.208 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.679 -11.782 -10.580 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.590 -14.333 -10.716 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.543 -13.899 -11.877 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.199 -15.531 -12.628 1.00 0.00 H new ATOM 925 N VAL A 61 -0.224 -7.232 -8.897 1.00 0.00 N ATOM 926 CA VAL A 61 -0.564 -5.943 -8.306 1.00 0.00 C ATOM 927 C VAL A 61 0.527 -4.920 -8.660 1.00 0.00 C ATOM 928 O VAL A 61 1.568 -5.276 -9.230 1.00 0.00 O ATOM 929 CB VAL A 61 -0.768 -6.117 -6.774 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.609 -7.353 -6.397 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.539 -6.220 -5.953 1.00 0.00 C ATOM 0 H VAL A 61 0.755 -7.489 -8.768 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.502 -5.562 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.292 -5.196 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.709 -7.409 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.598 -7.272 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.116 -8.254 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.297 -6.339 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.115 -7.081 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.127 -5.313 -6.090 1.00 0.00 H new ATOM 941 N LYS A 62 0.364 -3.658 -8.260 1.00 0.00 N ATOM 942 CA LYS A 62 1.474 -2.709 -8.132 1.00 0.00 C ATOM 943 C LYS A 62 1.332 -1.970 -6.815 1.00 0.00 C ATOM 944 O LYS A 62 0.213 -1.642 -6.425 1.00 0.00 O ATOM 945 CB LYS A 62 1.527 -1.728 -9.315 1.00 0.00 C ATOM 946 CG LYS A 62 0.255 -0.871 -9.478 1.00 0.00 C ATOM 947 CD LYS A 62 0.323 0.000 -10.736 1.00 0.00 C ATOM 948 CE LYS A 62 1.257 1.199 -10.531 1.00 0.00 C ATOM 949 NZ LYS A 62 1.635 1.796 -11.825 1.00 0.00 N ATOM 0 H LYS A 62 -0.544 -3.263 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 62 2.415 -3.260 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.384 -1.067 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.693 -2.291 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.619 -1.521 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.128 -0.236 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.674 -0.598 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.676 0.353 -10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.764 1.947 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.152 0.881 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.267 2.606 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.125 1.085 -12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.780 2.119 -12.321 1.00 0.00 H new ATOM 963 N ILE A 63 2.451 -1.690 -6.148 1.00 0.00 N ATOM 964 CA ILE A 63 2.475 -0.773 -5.017 1.00 0.00 C ATOM 965 C ILE A 63 2.076 0.603 -5.533 1.00 0.00 C ATOM 966 O ILE A 63 2.298 0.934 -6.703 1.00 0.00 O ATOM 967 CB ILE A 63 3.879 -0.791 -4.370 1.00 0.00 C ATOM 968 CG1 ILE A 63 3.994 -2.062 -3.514 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.269 0.490 -3.613 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.198 -2.140 -2.567 1.00 0.00 C ATOM 0 H ILE A 63 3.360 -2.092 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 63 1.771 -1.066 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 63 4.617 -0.813 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.085 -2.157 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.029 -2.922 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.270 0.376 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.255 1.337 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.558 0.666 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.169 -3.081 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.120 -2.086 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.162 -1.309 -1.863 1.00 0.00 H new ATOM 982 N ILE A 64 1.514 1.404 -4.635 1.00 0.00 N ATOM 983 CA ILE A 64 1.008 2.731 -4.919 1.00 0.00 C ATOM 984 C ILE A 64 1.703 3.703 -3.956 1.00 0.00 C ATOM 985 O ILE A 64 1.948 3.340 -2.800 1.00 0.00 O ATOM 986 CB ILE A 64 -0.524 2.793 -4.754 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.240 1.443 -4.898 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.144 3.774 -5.759 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.659 1.552 -4.376 1.00 0.00 C ATOM 0 H ILE A 64 1.397 1.133 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 64 1.221 3.001 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.672 3.130 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.251 1.137 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.699 0.674 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.225 3.800 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.734 4.770 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.914 3.449 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.160 0.590 -4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.639 1.837 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.199 2.307 -4.946 1.00 0.00 H new ATOM 1001 N PRO A 65 2.029 4.924 -4.398 1.00 0.00 N ATOM 1002 CA PRO A 65 2.660 5.941 -3.577 1.00 0.00 C ATOM 1003 C PRO A 65 1.680 6.704 -2.676 1.00 0.00 C ATOM 1004 O PRO A 65 2.125 7.350 -1.723 1.00 0.00 O ATOM 1005 CB PRO A 65 3.381 6.864 -4.562 1.00 0.00 C ATOM 1006 CG PRO A 65 2.614 6.706 -5.876 1.00 0.00 C ATOM 1007 CD PRO A 65 1.940 5.342 -5.777 1.00 0.00 C ATOM 0 HA PRO A 65 3.348 5.484 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.368 7.898 -4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.427 6.580 -4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.879 7.501 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.286 6.753 -6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.899 5.403 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.431 4.621 -6.431 1.00 0.00 H new