USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 435 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 33:sc= 0.602 USER MOD Single : A 15 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.0015) USER MOD Single : A 16 TYR OH : rot -30:sc= -3.76! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= 1.15 (180deg=-0.631) USER MOD Single : A 27 ASN : amide:sc= -2.88! C(o=-2.9!,f=-7.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.0734 K(o=0.073,f=-0.69) USER MOD Single : A 41 ASN : amide:sc= -0.895 K(o=-0.89,f=-0.18) USER MOD Single : A 43 TYR OH : rot 82:sc= 0.558 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 48 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.16) USER MOD Single : A 51 SER OG : rot 27:sc= 0.144 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -172:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.358 -8.598 0.671 1.00 0.00 N ATOM 67 CA PRO A 8 -4.911 -8.478 0.468 1.00 0.00 C ATOM 68 C PRO A 8 -4.335 -7.231 1.129 1.00 0.00 C ATOM 69 O PRO A 8 -5.063 -6.286 1.434 1.00 0.00 O ATOM 70 CB PRO A 8 -4.772 -8.389 -1.054 1.00 0.00 C ATOM 71 CG PRO A 8 -6.077 -7.845 -1.522 1.00 0.00 C ATOM 72 CD PRO A 8 -7.114 -8.381 -0.574 1.00 0.00 C ATOM 0 HA PRO A 8 -4.367 -9.312 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.946 -7.737 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.571 -9.367 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.070 -6.755 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.285 -8.157 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.931 -7.674 -0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.555 -9.307 -0.943 1.00 0.00 H new ATOM 80 N ARG A 9 -3.024 -7.234 1.347 1.00 0.00 N ATOM 81 CA ARG A 9 -2.350 -6.103 1.973 1.00 0.00 C ATOM 82 C ARG A 9 -0.979 -5.871 1.344 1.00 0.00 C ATOM 83 O ARG A 9 -0.555 -6.618 0.463 1.00 0.00 O ATOM 84 CB ARG A 9 -2.200 -6.339 3.477 1.00 0.00 C ATOM 85 CG ARG A 9 -3.455 -6.017 4.272 1.00 0.00 C ATOM 86 CD ARG A 9 -3.446 -6.703 5.629 1.00 0.00 C ATOM 87 NE ARG A 9 -4.018 -8.045 5.568 1.00 0.00 N ATOM 88 CZ ARG A 9 -5.303 -8.286 5.332 1.00 0.00 C ATOM 89 NH1 ARG A 9 -6.144 -7.280 5.137 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.748 -9.535 5.292 1.00 0.00 N ATOM 0 H ARG A 9 -2.407 -8.008 1.099 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.960 -5.214 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.929 -7.381 3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.377 -5.731 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.534 -4.938 4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.334 -6.332 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.422 -6.762 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.009 -6.101 6.343 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.397 -8.841 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.805 -6.319 5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.130 -7.467 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.103 -10.311 5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.735 -9.719 5.111 1.00 0.00 H new ATOM 104 N ALA A 10 -0.292 -4.830 1.803 1.00 0.00 N ATOM 105 CA ALA A 10 1.031 -4.500 1.287 1.00 0.00 C ATOM 106 C ALA A 10 1.926 -3.942 2.388 1.00 0.00 C ATOM 107 O ALA A 10 1.458 -3.246 3.290 1.00 0.00 O ATOM 108 CB ALA A 10 0.918 -3.506 0.141 1.00 0.00 C ATOM 0 H ALA A 10 -0.630 -4.201 2.531 1.00 0.00 H new ATOM 0 HA ALA A 10 1.487 -5.417 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.913 -3.269 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.322 -3.942 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.437 -2.594 0.496 1.00 0.00 H new ATOM 114 N LYS A 11 3.216 -4.251 2.309 1.00 0.00 N ATOM 115 CA LYS A 11 4.178 -3.779 3.299 1.00 0.00 C ATOM 116 C LYS A 11 5.178 -2.815 2.669 1.00 0.00 C ATOM 117 O LYS A 11 5.692 -3.064 1.578 1.00 0.00 O ATOM 118 CB LYS A 11 4.919 -4.963 3.924 1.00 0.00 C ATOM 119 CG LYS A 11 5.868 -4.566 5.041 1.00 0.00 C ATOM 120 CD LYS A 11 6.715 -5.741 5.498 1.00 0.00 C ATOM 121 CE LYS A 11 8.003 -5.845 4.696 1.00 0.00 C ATOM 122 NZ LYS A 11 9.063 -6.579 5.441 1.00 0.00 N ATOM 0 H LYS A 11 3.620 -4.826 1.570 1.00 0.00 H new ATOM 0 HA LYS A 11 3.630 -3.249 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.189 -5.673 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.482 -5.480 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.517 -3.760 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.297 -4.179 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.952 -5.630 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.145 -6.664 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.803 -6.354 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.359 -4.845 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.925 -6.628 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.272 -6.080 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.734 -7.542 5.654 1.00 0.00 H new ATOM 136 N ALA A 12 5.451 -1.715 3.363 1.00 0.00 N ATOM 137 CA ALA A 12 6.392 -0.716 2.873 1.00 0.00 C ATOM 138 C ALA A 12 7.820 -1.253 2.889 1.00 0.00 C ATOM 139 O ALA A 12 8.179 -2.065 3.743 1.00 0.00 O ATOM 140 CB ALA A 12 6.294 0.554 3.704 1.00 0.00 C ATOM 0 H ALA A 12 5.033 -1.493 4.267 1.00 0.00 H new ATOM 0 HA ALA A 12 6.131 -0.482 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.003 1.291 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.283 0.955 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.526 0.327 4.744 1.00 0.00 H new ATOM 146 N LEU A 13 8.630 -0.794 1.941 1.00 0.00 N ATOM 147 CA LEU A 13 10.019 -1.229 1.847 1.00 0.00 C ATOM 148 C LEU A 13 10.967 -0.122 2.298 1.00 0.00 C ATOM 149 O LEU A 13 12.081 -0.391 2.748 1.00 0.00 O ATOM 150 CB LEU A 13 10.347 -1.644 0.412 1.00 0.00 C ATOM 151 CG LEU A 13 9.716 -2.950 -0.070 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.260 -3.334 -1.438 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.963 -4.065 0.936 1.00 0.00 C ATOM 0 H LEU A 13 8.349 -0.121 1.227 1.00 0.00 H new ATOM 0 HA LEU A 13 10.152 -2.087 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.032 -0.843 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.430 -1.731 0.319 1.00 0.00 H new ATOM 0 HG LEU A 13 8.640 -2.799 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.799 -4.266 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.031 -2.546 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.340 -3.466 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.507 -4.987 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.036 -4.214 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.524 -3.793 1.896 1.00 0.00 H new ATOM 165 N CYS A 14 10.517 1.122 2.175 1.00 0.00 N ATOM 166 CA CYS A 14 11.325 2.269 2.572 1.00 0.00 C ATOM 167 C CYS A 14 10.456 3.510 2.753 1.00 0.00 C ATOM 168 O CYS A 14 9.273 3.505 2.417 1.00 0.00 O ATOM 169 CB CYS A 14 12.410 2.541 1.528 1.00 0.00 C ATOM 170 SG CYS A 14 13.903 1.543 1.740 1.00 0.00 S ATOM 0 H CYS A 14 9.598 1.362 1.804 1.00 0.00 H new ATOM 0 HA CYS A 14 11.798 2.036 3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.999 2.355 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.682 3.596 1.568 1.00 0.00 H new ATOM 0 HG CYS A 14 13.583 0.381 2.227 1.00 0.00 H new ATOM 176 N ASN A 15 11.052 4.570 3.289 1.00 0.00 N ATOM 177 CA ASN A 15 10.331 5.817 3.518 1.00 0.00 C ATOM 178 C ASN A 15 9.629 6.281 2.246 1.00 0.00 C ATOM 179 O ASN A 15 10.244 6.374 1.183 1.00 0.00 O ATOM 180 CB ASN A 15 11.291 6.903 4.009 1.00 0.00 C ATOM 181 CG ASN A 15 12.611 6.887 3.262 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.682 7.274 2.095 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.665 6.438 3.934 1.00 0.00 N ATOM 0 H ASN A 15 12.032 4.591 3.573 1.00 0.00 H new ATOM 0 HA ASN A 15 9.576 5.636 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.822 7.880 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.477 6.765 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.580 6.404 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.560 6.127 4.900 1.00 0.00 H new ATOM 190 N TYR A 16 8.337 6.570 2.361 1.00 0.00 N ATOM 191 CA TYR A 16 7.550 7.022 1.221 1.00 0.00 C ATOM 192 C TYR A 16 6.885 8.363 1.515 1.00 0.00 C ATOM 193 O TYR A 16 6.046 8.834 0.747 1.00 0.00 O ATOM 194 CB TYR A 16 6.489 5.981 0.862 1.00 0.00 C ATOM 195 CG TYR A 16 6.145 5.949 -0.610 1.00 0.00 C ATOM 196 CD1 TYR A 16 7.107 5.635 -1.562 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.858 6.232 -1.050 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.798 5.605 -2.908 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.539 6.203 -2.393 1.00 0.00 C ATOM 200 CZ TYR A 16 5.512 5.890 -3.319 1.00 0.00 C ATOM 201 OH TYR A 16 5.200 5.860 -4.659 1.00 0.00 O ATOM 0 H TYR A 16 7.813 6.499 3.233 1.00 0.00 H new ATOM 0 HA TYR A 16 8.224 7.150 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.842 4.995 1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.584 6.185 1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.114 5.410 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.093 6.479 -0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.559 5.360 -3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.533 6.424 -2.717 1.00 0.00 H new ATOM 0 HH TYR A 16 5.991 6.101 -5.185 1.00 0.00 H new ATOM 211 N ARG A 17 7.266 8.973 2.633 1.00 0.00 N ATOM 212 CA ARG A 17 6.707 10.259 3.031 1.00 0.00 C ATOM 213 C ARG A 17 7.389 11.402 2.285 1.00 0.00 C ATOM 214 O ARG A 17 7.521 12.507 2.810 1.00 0.00 O ATOM 215 CB ARG A 17 6.855 10.459 4.540 1.00 0.00 C ATOM 216 CG ARG A 17 6.124 9.415 5.368 1.00 0.00 C ATOM 217 CD ARG A 17 7.032 8.248 5.723 1.00 0.00 C ATOM 218 NE ARG A 17 6.664 7.636 6.996 1.00 0.00 N ATOM 219 CZ ARG A 17 6.947 8.171 8.178 1.00 0.00 C ATOM 220 NH1 ARG A 17 7.598 9.324 8.249 1.00 0.00 N ATOM 221 NH2 ARG A 17 6.579 7.553 9.293 1.00 0.00 N ATOM 0 H ARG A 17 7.960 8.597 3.279 1.00 0.00 H new ATOM 0 HA ARG A 17 5.648 10.262 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.914 10.439 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.481 11.448 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.746 9.874 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.260 9.049 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.984 7.498 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.064 8.594 5.772 1.00 0.00 H new ATOM 0 HE ARG A 17 6.162 6.748 6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.883 9.802 7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.814 9.733 9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.078 6.666 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.797 7.965 10.200 1.00 0.00 H new ATOM 235 N GLY A 18 7.822 11.128 1.058 1.00 0.00 N ATOM 236 CA GLY A 18 8.486 12.142 0.262 1.00 0.00 C ATOM 237 C GLY A 18 7.506 13.066 -0.435 1.00 0.00 C ATOM 238 O GLY A 18 6.488 13.452 0.140 1.00 0.00 O ATOM 0 H GLY A 18 7.724 10.221 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.142 12.730 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.118 11.659 -0.483 1.00 0.00 H new ATOM 242 N LYS A 19 7.813 13.422 -1.678 1.00 0.00 N ATOM 243 CA LYS A 19 6.953 14.306 -2.455 1.00 0.00 C ATOM 244 C LYS A 19 6.432 13.600 -3.703 1.00 0.00 C ATOM 245 O LYS A 19 7.175 13.381 -4.658 1.00 0.00 O ATOM 246 CB LYS A 19 7.715 15.573 -2.853 1.00 0.00 C ATOM 247 CG LYS A 19 9.124 15.303 -3.350 1.00 0.00 C ATOM 248 CD LYS A 19 10.112 15.208 -2.199 1.00 0.00 C ATOM 249 CE LYS A 19 11.282 14.298 -2.542 1.00 0.00 C ATOM 250 NZ LYS A 19 12.276 14.979 -3.417 1.00 0.00 N ATOM 0 H LYS A 19 8.652 13.111 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 19 6.101 14.582 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.157 16.093 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.763 16.243 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.138 14.374 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.430 16.099 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.483 16.203 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.604 14.830 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.770 13.972 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.912 13.403 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.058 14.326 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.817 15.268 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.649 15.819 -2.930 1.00 0.00 H new ATOM 264 N ASN A 20 5.151 13.248 -3.687 1.00 0.00 N ATOM 265 CA ASN A 20 4.531 12.568 -4.818 1.00 0.00 C ATOM 266 C ASN A 20 3.191 13.207 -5.170 1.00 0.00 C ATOM 267 O ASN A 20 2.546 13.851 -4.342 1.00 0.00 O ATOM 268 CB ASN A 20 4.333 11.084 -4.501 1.00 0.00 C ATOM 269 CG ASN A 20 5.550 10.251 -4.850 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.586 9.588 -5.887 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.556 10.280 -3.984 1.00 0.00 N ATOM 0 H ASN A 20 4.522 13.422 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 20 5.196 12.664 -5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.109 10.969 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.470 10.710 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.401 9.739 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.484 10.843 -3.137 1.00 0.00 H new ATOM 278 N PRO A 21 2.761 13.027 -6.428 1.00 0.00 N ATOM 279 CA PRO A 21 1.494 13.577 -6.918 1.00 0.00 C ATOM 280 C PRO A 21 0.284 12.884 -6.301 1.00 0.00 C ATOM 281 O PRO A 21 -0.047 11.755 -6.659 1.00 0.00 O ATOM 282 CB PRO A 21 1.552 13.311 -8.424 1.00 0.00 C ATOM 283 CG PRO A 21 2.463 12.142 -8.569 1.00 0.00 C ATOM 284 CD PRO A 21 3.479 12.270 -7.467 1.00 0.00 C ATOM 0 HA PRO A 21 1.380 14.630 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.562 13.093 -8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.932 14.178 -8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.912 11.205 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.945 12.142 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.802 11.295 -7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.372 12.797 -7.803 1.00 0.00 H new ATOM 292 N GLY A 22 -0.374 13.570 -5.371 1.00 0.00 N ATOM 293 CA GLY A 22 -1.541 13.005 -4.719 1.00 0.00 C ATOM 294 C GLY A 22 -1.342 11.553 -4.332 1.00 0.00 C ATOM 295 O GLY A 22 -2.235 10.726 -4.519 1.00 0.00 O ATOM 0 H GLY A 22 -0.120 14.507 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.773 13.587 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.400 13.086 -5.385 1.00 0.00 H new ATOM 299 N ASP A 23 -0.169 11.242 -3.792 1.00 0.00 N ATOM 300 CA ASP A 23 0.145 9.879 -3.378 1.00 0.00 C ATOM 301 C ASP A 23 -0.082 9.700 -1.880 1.00 0.00 C ATOM 302 O ASP A 23 -0.453 10.644 -1.181 1.00 0.00 O ATOM 303 CB ASP A 23 1.593 9.536 -3.732 1.00 0.00 C ATOM 304 CG ASP A 23 1.751 9.117 -5.180 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.346 9.893 -6.070 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.279 8.011 -5.424 1.00 0.00 O ATOM 0 H ASP A 23 0.580 11.915 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.521 9.201 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.227 10.401 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.942 8.732 -3.084 1.00 0.00 H new ATOM 311 N LEU A 24 0.143 8.485 -1.394 1.00 0.00 N ATOM 312 CA LEU A 24 -0.038 8.182 0.022 1.00 0.00 C ATOM 313 C LEU A 24 1.308 8.036 0.723 1.00 0.00 C ATOM 314 O LEU A 24 2.138 7.212 0.335 1.00 0.00 O ATOM 315 CB LEU A 24 -0.855 6.899 0.189 1.00 0.00 C ATOM 316 CG LEU A 24 -1.541 6.712 1.543 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.716 5.754 1.418 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.547 6.207 2.579 1.00 0.00 C ATOM 0 H LEU A 24 0.451 7.693 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.578 9.011 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.618 6.874 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.196 6.048 0.017 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.920 7.679 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.192 5.633 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.439 6.156 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.360 4.786 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.052 6.080 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.138 5.250 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.262 6.929 2.689 1.00 0.00 H new ATOM 330 N LYS A 25 1.519 8.838 1.761 1.00 0.00 N ATOM 331 CA LYS A 25 2.763 8.797 2.520 1.00 0.00 C ATOM 332 C LYS A 25 2.720 7.698 3.577 1.00 0.00 C ATOM 333 O LYS A 25 1.825 7.672 4.423 1.00 0.00 O ATOM 334 CB LYS A 25 3.023 10.150 3.187 1.00 0.00 C ATOM 335 CG LYS A 25 3.528 11.214 2.227 1.00 0.00 C ATOM 336 CD LYS A 25 2.382 12.008 1.622 1.00 0.00 C ATOM 337 CE LYS A 25 1.899 11.385 0.321 1.00 0.00 C ATOM 338 NZ LYS A 25 1.372 12.411 -0.622 1.00 0.00 N ATOM 0 H LYS A 25 0.844 9.525 2.096 1.00 0.00 H new ATOM 0 HA LYS A 25 3.575 8.578 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.101 10.500 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.752 10.018 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.202 11.890 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.106 10.743 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.556 12.056 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.705 13.033 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.720 10.846 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.119 10.654 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.553 12.024 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.080 13.255 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.114 12.671 -1.303 1.00 0.00 H new ATOM 352 N PHE A 26 3.691 6.793 3.524 1.00 0.00 N ATOM 353 CA PHE A 26 3.763 5.692 4.477 1.00 0.00 C ATOM 354 C PHE A 26 5.213 5.376 4.834 1.00 0.00 C ATOM 355 O PHE A 26 6.130 5.669 4.068 1.00 0.00 O ATOM 356 CB PHE A 26 3.085 4.447 3.903 1.00 0.00 C ATOM 357 CG PHE A 26 3.679 3.986 2.602 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.903 3.336 2.576 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.015 4.204 1.406 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.452 2.911 1.381 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.559 3.780 0.208 1.00 0.00 C ATOM 362 CZ PHE A 26 4.780 3.134 0.196 1.00 0.00 C ATOM 0 H PHE A 26 4.439 6.800 2.831 1.00 0.00 H new ATOM 0 HA PHE A 26 3.241 5.995 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.153 3.638 4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.025 4.656 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.434 3.160 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.061 4.711 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.406 2.405 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.030 3.954 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.208 2.804 -0.739 1.00 0.00 H new ATOM 372 N ASN A 27 5.411 4.777 6.004 1.00 0.00 N ATOM 373 CA ASN A 27 6.748 4.422 6.465 1.00 0.00 C ATOM 374 C ASN A 27 7.049 2.954 6.180 1.00 0.00 C ATOM 375 O ASN A 27 6.143 2.160 5.926 1.00 0.00 O ATOM 376 CB ASN A 27 6.885 4.702 7.963 1.00 0.00 C ATOM 377 CG ASN A 27 5.567 4.565 8.699 1.00 0.00 C ATOM 378 OD1 ASN A 27 4.551 5.124 8.286 1.00 0.00 O ATOM 379 ND2 ASN A 27 5.578 3.819 9.798 1.00 0.00 N ATOM 0 H ASN A 27 4.662 4.527 6.650 1.00 0.00 H new ATOM 0 HA ASN A 27 7.468 5.034 5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.612 4.013 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.276 5.709 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.721 3.691 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.443 3.374 10.104 1.00 0.00 H new ATOM 386 N LYS A 28 8.329 2.598 6.226 1.00 0.00 N ATOM 387 CA LYS A 28 8.752 1.225 5.976 1.00 0.00 C ATOM 388 C LYS A 28 8.165 0.277 7.016 1.00 0.00 C ATOM 389 O LYS A 28 8.172 0.569 8.211 1.00 0.00 O ATOM 390 CB LYS A 28 10.279 1.130 5.988 1.00 0.00 C ATOM 391 CG LYS A 28 10.800 -0.297 5.975 1.00 0.00 C ATOM 392 CD LYS A 28 12.271 -0.357 6.349 1.00 0.00 C ATOM 393 CE LYS A 28 12.904 -1.669 5.912 1.00 0.00 C ATOM 394 NZ LYS A 28 12.723 -2.739 6.931 1.00 0.00 N ATOM 0 H LYS A 28 9.092 3.242 6.434 1.00 0.00 H new ATOM 0 HA LYS A 28 8.383 0.931 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.674 1.660 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.659 1.639 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.221 -0.903 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.658 -0.728 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.800 0.476 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.378 -0.241 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.463 -1.988 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.968 -1.516 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.168 -3.617 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.166 -2.446 7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.708 -2.903 7.085 1.00 0.00 H new ATOM 408 N GLY A 29 7.657 -0.862 6.553 1.00 0.00 N ATOM 409 CA GLY A 29 7.075 -1.836 7.458 1.00 0.00 C ATOM 410 C GLY A 29 5.565 -1.725 7.535 1.00 0.00 C ATOM 411 O GLY A 29 4.857 -2.728 7.450 1.00 0.00 O ATOM 0 H GLY A 29 7.638 -1.127 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.346 -2.840 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.498 -1.701 8.454 1.00 0.00 H new ATOM 415 N ASP A 30 5.071 -0.502 7.699 1.00 0.00 N ATOM 416 CA ASP A 30 3.636 -0.263 7.789 1.00 0.00 C ATOM 417 C ASP A 30 2.880 -1.103 6.764 1.00 0.00 C ATOM 418 O ASP A 30 3.234 -1.130 5.585 1.00 0.00 O ATOM 419 CB ASP A 30 3.330 1.220 7.577 1.00 0.00 C ATOM 420 CG ASP A 30 3.372 2.010 8.871 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.022 1.544 9.830 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.756 3.095 8.923 1.00 0.00 O ATOM 0 H ASP A 30 5.644 0.339 7.772 1.00 0.00 H new ATOM 0 HA ASP A 30 3.306 -0.555 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.050 1.640 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.344 1.324 7.123 1.00 0.00 H new ATOM 427 N VAL A 31 1.836 -1.788 7.221 1.00 0.00 N ATOM 428 CA VAL A 31 1.030 -2.628 6.343 1.00 0.00 C ATOM 429 C VAL A 31 -0.257 -1.920 5.934 1.00 0.00 C ATOM 430 O VAL A 31 -1.196 -1.813 6.723 1.00 0.00 O ATOM 431 CB VAL A 31 0.674 -3.966 7.019 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.244 -4.787 6.127 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.936 -4.743 7.360 1.00 0.00 C ATOM 0 H VAL A 31 1.529 -1.778 8.194 1.00 0.00 H new ATOM 0 HA VAL A 31 1.630 -2.826 5.455 1.00 0.00 H new ATOM 0 HB VAL A 31 0.144 -3.755 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.485 -5.728 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.162 -4.230 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.256 -4.991 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.666 -5.685 7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.496 -4.946 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.552 -4.156 8.041 1.00 0.00 H new ATOM 443 N ILE A 32 -0.292 -1.439 4.696 1.00 0.00 N ATOM 444 CA ILE A 32 -1.464 -0.742 4.181 1.00 0.00 C ATOM 445 C ILE A 32 -2.506 -1.728 3.663 1.00 0.00 C ATOM 446 O ILE A 32 -2.167 -2.755 3.075 1.00 0.00 O ATOM 447 CB ILE A 32 -1.088 0.232 3.049 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.083 1.119 3.478 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.289 1.082 2.661 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.959 1.561 2.326 1.00 0.00 C ATOM 0 H ILE A 32 0.477 -1.519 4.031 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.884 -0.175 5.012 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.781 -0.347 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.307 2.001 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.693 0.577 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.008 1.765 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.097 0.435 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.624 1.655 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.768 2.186 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.378 0.685 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.363 2.131 1.613 1.00 0.00 H new ATOM 462 N LEU A 33 -3.777 -1.407 3.883 1.00 0.00 N ATOM 463 CA LEU A 33 -4.870 -2.264 3.437 1.00 0.00 C ATOM 464 C LEU A 33 -5.332 -1.872 2.037 1.00 0.00 C ATOM 465 O LEU A 33 -5.732 -0.731 1.801 1.00 0.00 O ATOM 466 CB LEU A 33 -6.042 -2.179 4.416 1.00 0.00 C ATOM 467 CG LEU A 33 -5.806 -2.783 5.801 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.235 -1.740 6.748 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.098 -3.362 6.358 1.00 0.00 C ATOM 0 H LEU A 33 -4.075 -0.560 4.367 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.505 -3.291 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.310 -1.130 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.901 -2.676 3.967 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.081 -3.592 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.074 -2.188 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.286 -1.373 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.935 -0.910 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.911 -3.787 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.845 -2.573 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.465 -4.142 5.690 1.00 0.00 H new ATOM 481 N LEU A 34 -5.277 -2.825 1.114 1.00 0.00 N ATOM 482 CA LEU A 34 -5.692 -2.580 -0.263 1.00 0.00 C ATOM 483 C LEU A 34 -7.205 -2.410 -0.354 1.00 0.00 C ATOM 484 O LEU A 34 -7.954 -3.385 -0.286 1.00 0.00 O ATOM 485 CB LEU A 34 -5.242 -3.732 -1.165 1.00 0.00 C ATOM 486 CG LEU A 34 -3.738 -3.835 -1.420 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.401 -5.154 -2.098 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.258 -2.662 -2.262 1.00 0.00 C ATOM 0 H LEU A 34 -4.949 -3.774 1.293 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.220 -1.657 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.580 -4.668 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.748 -3.634 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.223 -3.802 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.326 -5.210 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.709 -5.981 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.926 -5.218 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.185 -2.752 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.780 -2.663 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.465 -1.729 -1.738 1.00 0.00 H new ATOM 500 N ARG A 35 -7.648 -1.167 -0.509 1.00 0.00 N ATOM 501 CA ARG A 35 -9.071 -0.870 -0.610 1.00 0.00 C ATOM 502 C ARG A 35 -9.571 -1.080 -2.037 1.00 0.00 C ATOM 503 O ARG A 35 -10.627 -1.675 -2.254 1.00 0.00 O ATOM 504 CB ARG A 35 -9.346 0.569 -0.170 1.00 0.00 C ATOM 505 CG ARG A 35 -10.805 0.976 -0.294 1.00 0.00 C ATOM 506 CD ARG A 35 -11.670 0.271 0.739 1.00 0.00 C ATOM 507 NE ARG A 35 -13.065 0.181 0.316 1.00 0.00 N ATOM 508 CZ ARG A 35 -13.898 1.216 0.307 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.480 2.412 0.696 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.153 1.054 -0.092 1.00 0.00 N ATOM 0 H ARG A 35 -7.041 -0.349 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.606 -1.554 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.031 0.689 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.737 1.246 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.895 2.055 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.166 0.739 -1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.279 -0.731 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.612 0.807 1.686 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.419 -0.726 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.516 2.540 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.122 3.204 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.478 0.135 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.793 1.849 -0.099 1.00 0.00 H new ATOM 524 N ARG A 36 -8.805 -0.588 -3.005 1.00 0.00 N ATOM 525 CA ARG A 36 -9.170 -0.721 -4.410 1.00 0.00 C ATOM 526 C ARG A 36 -7.928 -0.748 -5.295 1.00 0.00 C ATOM 527 O ARG A 36 -6.953 -0.044 -5.033 1.00 0.00 O ATOM 528 CB ARG A 36 -10.085 0.431 -4.832 1.00 0.00 C ATOM 529 CG ARG A 36 -10.467 0.397 -6.303 1.00 0.00 C ATOM 530 CD ARG A 36 -10.752 1.792 -6.836 1.00 0.00 C ATOM 531 NE ARG A 36 -11.803 2.465 -6.077 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.345 3.623 -6.439 1.00 0.00 C ATOM 533 NH1 ARG A 36 -11.938 4.233 -7.543 1.00 0.00 N ATOM 534 NH2 ARG A 36 -13.296 4.172 -5.695 1.00 0.00 N ATOM 0 H ARG A 36 -7.928 -0.094 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.703 -1.664 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.992 0.403 -4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.588 1.377 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.660 -0.056 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.347 -0.232 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.840 2.388 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.047 1.726 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.139 2.022 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.207 3.814 -8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.356 5.122 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.611 3.705 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.712 5.061 -5.973 1.00 0.00 H new ATOM 548 N GLN A 37 -7.971 -1.566 -6.342 1.00 0.00 N ATOM 549 CA GLN A 37 -6.848 -1.686 -7.264 1.00 0.00 C ATOM 550 C GLN A 37 -7.062 -0.817 -8.498 1.00 0.00 C ATOM 551 O GLN A 37 -8.026 -1.002 -9.242 1.00 0.00 O ATOM 552 CB GLN A 37 -6.656 -3.145 -7.680 1.00 0.00 C ATOM 553 CG GLN A 37 -5.583 -3.340 -8.740 1.00 0.00 C ATOM 554 CD GLN A 37 -5.223 -4.798 -8.945 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.938 -5.695 -8.496 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.111 -5.043 -9.628 1.00 0.00 N ATOM 0 H GLN A 37 -8.771 -2.155 -6.573 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.950 -1.341 -6.751 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.397 -3.734 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.602 -3.534 -8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.930 -2.919 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.689 -2.786 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.549 -4.269 -9.982 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.819 -6.005 -9.799 1.00 0.00 H new ATOM 565 N LEU A 38 -6.157 0.133 -8.711 1.00 0.00 N ATOM 566 CA LEU A 38 -6.247 1.032 -9.856 1.00 0.00 C ATOM 567 C LEU A 38 -5.474 0.476 -11.048 1.00 0.00 C ATOM 568 O LEU A 38 -5.939 0.538 -12.186 1.00 0.00 O ATOM 569 CB LEU A 38 -5.710 2.416 -9.486 1.00 0.00 C ATOM 570 CG LEU A 38 -6.376 3.097 -8.290 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.575 4.313 -7.854 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.806 3.492 -8.630 1.00 0.00 C ATOM 0 H LEU A 38 -5.353 0.300 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.297 1.119 -10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.643 2.327 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.814 3.068 -10.354 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.403 2.389 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.064 4.785 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.569 4.003 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.516 5.024 -8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.265 3.975 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.802 4.183 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.377 2.601 -8.893 1.00 0.00 H new ATOM 584 N ASP A 39 -4.293 -0.069 -10.777 1.00 0.00 N ATOM 585 CA ASP A 39 -3.457 -0.640 -11.827 1.00 0.00 C ATOM 586 C ASP A 39 -2.645 -1.817 -11.294 1.00 0.00 C ATOM 587 O ASP A 39 -2.745 -2.171 -10.120 1.00 0.00 O ATOM 588 CB ASP A 39 -2.520 0.425 -12.398 1.00 0.00 C ATOM 589 CG ASP A 39 -1.979 0.049 -13.763 1.00 0.00 C ATOM 590 OD1 ASP A 39 -2.632 -0.757 -14.459 1.00 0.00 O ATOM 591 OD2 ASP A 39 -0.903 0.561 -14.136 1.00 0.00 O ATOM 0 H ASP A 39 -3.893 -0.127 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.110 -1.002 -12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.053 1.373 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.688 0.579 -11.711 1.00 0.00 H new ATOM 596 N GLU A 40 -1.842 -2.419 -12.166 1.00 0.00 N ATOM 597 CA GLU A 40 -1.015 -3.556 -11.783 1.00 0.00 C ATOM 598 C GLU A 40 0.221 -3.096 -11.016 1.00 0.00 C ATOM 599 O GLU A 40 0.898 -3.896 -10.371 1.00 0.00 O ATOM 600 CB GLU A 40 -0.593 -4.349 -13.022 1.00 0.00 C ATOM 601 CG GLU A 40 0.713 -5.105 -12.846 1.00 0.00 C ATOM 602 CD GLU A 40 0.593 -6.258 -11.869 1.00 0.00 C ATOM 603 OE1 GLU A 40 -0.022 -6.066 -10.799 1.00 0.00 O ATOM 604 OE2 GLU A 40 1.114 -7.351 -12.172 1.00 0.00 O ATOM 0 H GLU A 40 -1.747 -2.138 -13.142 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.607 -4.200 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.382 -5.057 -13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.496 -3.665 -13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.041 -5.486 -13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.483 -4.417 -12.497 1.00 0.00 H new ATOM 611 N ASN A 41 0.510 -1.801 -11.092 1.00 0.00 N ATOM 612 CA ASN A 41 1.665 -1.234 -10.406 1.00 0.00 C ATOM 613 C ASN A 41 1.226 -0.266 -9.311 1.00 0.00 C ATOM 614 O ASN A 41 1.979 0.016 -8.379 1.00 0.00 O ATOM 615 CB ASN A 41 2.575 -0.515 -11.404 1.00 0.00 C ATOM 616 CG ASN A 41 2.965 -1.400 -12.572 1.00 0.00 C ATOM 617 OD1 ASN A 41 4.115 -1.823 -12.687 1.00 0.00 O ATOM 618 ND2 ASN A 41 2.006 -1.683 -13.446 1.00 0.00 N ATOM 0 H ASN A 41 -0.040 -1.125 -11.622 1.00 0.00 H new ATOM 0 HA ASN A 41 2.219 -2.051 -9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.068 0.374 -11.779 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.476 -0.176 -10.892 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.209 -2.273 -14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.066 -1.310 -13.311 1.00 0.00 H new ATOM 625 N TRP A 42 0.004 0.240 -9.432 1.00 0.00 N ATOM 626 CA TRP A 42 -0.536 1.176 -8.452 1.00 0.00 C ATOM 627 C TRP A 42 -1.655 0.531 -7.642 1.00 0.00 C ATOM 628 O TRP A 42 -2.343 -0.369 -8.123 1.00 0.00 O ATOM 629 CB TRP A 42 -1.054 2.434 -9.151 1.00 0.00 C ATOM 630 CG TRP A 42 0.038 3.321 -9.666 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.774 3.140 -10.802 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.519 4.527 -9.062 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.684 4.160 -10.941 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.547 5.025 -9.887 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.180 5.236 -7.906 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.237 6.197 -9.590 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.867 6.399 -7.613 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.885 6.870 -8.452 1.00 0.00 C ATOM 0 H TRP A 42 -0.631 0.018 -10.198 1.00 0.00 H new ATOM 0 HA TRP A 42 0.267 1.453 -7.769 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.696 2.141 -9.982 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.673 2.999 -8.454 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.658 2.316 -11.490 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.353 4.258 -11.705 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.604 4.882 -7.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.022 6.562 -10.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.615 6.954 -6.722 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.402 7.783 -8.195 1.00 0.00 H new ATOM 649 N TYR A 43 -1.832 0.998 -6.411 1.00 0.00 N ATOM 650 CA TYR A 43 -2.867 0.464 -5.533 1.00 0.00 C ATOM 651 C TYR A 43 -3.433 1.557 -4.632 1.00 0.00 C ATOM 652 O TYR A 43 -2.704 2.433 -4.167 1.00 0.00 O ATOM 653 CB TYR A 43 -2.305 -0.674 -4.680 1.00 0.00 C ATOM 654 CG TYR A 43 -1.697 -1.796 -5.492 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.437 -2.456 -6.465 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.381 -2.194 -5.287 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.886 -3.482 -7.208 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.178 -3.218 -6.027 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.578 -3.859 -6.986 1.00 0.00 C ATOM 660 OH TYR A 43 -0.025 -4.879 -7.726 1.00 0.00 O ATOM 0 H TYR A 43 -1.273 1.745 -5.999 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.673 0.078 -6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.548 -0.272 -4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.103 -1.078 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.461 -2.162 -6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.214 -1.695 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.476 -3.986 -7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.202 -3.515 -5.855 1.00 0.00 H new ATOM 0 HH TYR A 43 0.270 -4.531 -8.593 1.00 0.00 H new ATOM 670 N GLN A 44 -4.739 1.498 -4.390 1.00 0.00 N ATOM 671 CA GLN A 44 -5.404 2.483 -3.545 1.00 0.00 C ATOM 672 C GLN A 44 -5.738 1.891 -2.180 1.00 0.00 C ATOM 673 O GLN A 44 -6.487 0.920 -2.079 1.00 0.00 O ATOM 674 CB GLN A 44 -6.680 2.987 -4.221 1.00 0.00 C ATOM 675 CG GLN A 44 -7.371 4.106 -3.459 1.00 0.00 C ATOM 676 CD GLN A 44 -8.626 4.597 -4.153 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.632 4.824 -5.363 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.699 4.763 -3.388 1.00 0.00 N ATOM 0 H GLN A 44 -5.357 0.779 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.722 3.321 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.436 3.338 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.374 2.154 -4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.627 3.755 -2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.678 4.939 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.649 4.563 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.573 5.091 -3.799 1.00 0.00 H new ATOM 687 N GLY A 45 -5.176 2.484 -1.130 1.00 0.00 N ATOM 688 CA GLY A 45 -5.426 2.001 0.216 1.00 0.00 C ATOM 689 C GLY A 45 -5.617 3.129 1.210 1.00 0.00 C ATOM 690 O GLY A 45 -5.791 4.284 0.821 1.00 0.00 O ATOM 0 H GLY A 45 -4.553 3.289 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.314 1.369 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.592 1.377 0.536 1.00 0.00 H new ATOM 694 N GLU A 46 -5.587 2.794 2.496 1.00 0.00 N ATOM 695 CA GLU A 46 -5.761 3.789 3.548 1.00 0.00 C ATOM 696 C GLU A 46 -4.986 3.395 4.802 1.00 0.00 C ATOM 697 O GLU A 46 -5.017 2.240 5.227 1.00 0.00 O ATOM 698 CB GLU A 46 -7.245 3.955 3.883 1.00 0.00 C ATOM 699 CG GLU A 46 -7.495 4.548 5.259 1.00 0.00 C ATOM 700 CD GLU A 46 -8.949 4.917 5.480 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.819 4.041 5.294 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.217 6.083 5.838 1.00 0.00 O ATOM 0 H GLU A 46 -5.444 1.842 2.834 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.370 4.739 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.709 4.594 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.734 2.983 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.186 3.832 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.875 5.436 5.386 1.00 0.00 H new ATOM 709 N ILE A 47 -4.291 4.364 5.389 1.00 0.00 N ATOM 710 CA ILE A 47 -3.509 4.119 6.595 1.00 0.00 C ATOM 711 C ILE A 47 -3.671 5.258 7.596 1.00 0.00 C ATOM 712 O ILE A 47 -3.404 6.417 7.282 1.00 0.00 O ATOM 713 CB ILE A 47 -2.013 3.946 6.269 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.278 3.329 7.461 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.395 5.284 5.893 1.00 0.00 C ATOM 716 CD1 ILE A 47 -0.051 2.537 7.069 1.00 0.00 C ATOM 0 H ILE A 47 -4.253 5.325 5.049 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.887 3.196 7.035 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.916 3.272 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.984 4.123 8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.964 2.677 8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.338 5.145 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.905 5.687 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.499 5.980 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.420 2.129 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.341 1.721 6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.654 3.189 6.554 1.00 0.00 H new ATOM 728 N ASN A 48 -4.109 4.919 8.804 1.00 0.00 N ATOM 729 CA ASN A 48 -4.306 5.913 9.853 1.00 0.00 C ATOM 730 C ASN A 48 -5.268 7.005 9.394 1.00 0.00 C ATOM 731 O ASN A 48 -4.985 8.194 9.533 1.00 0.00 O ATOM 732 CB ASN A 48 -2.966 6.533 10.254 1.00 0.00 C ATOM 733 CG ASN A 48 -1.887 5.489 10.469 1.00 0.00 C ATOM 734 OD1 ASN A 48 -0.696 5.780 10.357 1.00 0.00 O ATOM 735 ND2 ASN A 48 -2.301 4.266 10.778 1.00 0.00 N ATOM 0 H ASN A 48 -4.334 3.964 9.081 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.740 5.412 10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.645 7.229 9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.096 7.111 11.169 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.621 3.522 10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.299 4.071 10.860 1.00 0.00 H new ATOM 742 N GLY A 49 -6.407 6.591 8.846 1.00 0.00 N ATOM 743 CA GLY A 49 -7.393 7.546 8.376 1.00 0.00 C ATOM 744 C GLY A 49 -6.860 8.432 7.268 1.00 0.00 C ATOM 745 O GLY A 49 -7.254 9.592 7.146 1.00 0.00 O ATOM 0 H GLY A 49 -6.664 5.612 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.271 7.010 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.718 8.168 9.210 1.00 0.00 H new ATOM 749 N VAL A 50 -5.959 7.886 6.457 1.00 0.00 N ATOM 750 CA VAL A 50 -5.370 8.634 5.353 1.00 0.00 C ATOM 751 C VAL A 50 -5.592 7.921 4.024 1.00 0.00 C ATOM 752 O VAL A 50 -5.073 6.827 3.801 1.00 0.00 O ATOM 753 CB VAL A 50 -3.859 8.848 5.563 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.265 9.632 4.403 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.600 9.554 6.884 1.00 0.00 C ATOM 0 H VAL A 50 -5.621 6.928 6.544 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.867 9.604 5.328 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.372 7.873 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.197 9.774 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.418 9.081 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.753 10.604 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.528 9.697 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.098 10.524 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.989 8.948 7.703 1.00 0.00 H new ATOM 765 N SER A 51 -6.367 8.547 3.144 1.00 0.00 N ATOM 766 CA SER A 51 -6.660 7.971 1.838 1.00 0.00 C ATOM 767 C SER A 51 -5.649 8.441 0.796 1.00 0.00 C ATOM 768 O SER A 51 -5.361 9.632 0.688 1.00 0.00 O ATOM 769 CB SER A 51 -8.076 8.348 1.397 1.00 0.00 C ATOM 770 OG SER A 51 -8.218 9.753 1.284 1.00 0.00 O ATOM 0 H SER A 51 -6.803 9.454 3.312 1.00 0.00 H new ATOM 0 HA SER A 51 -6.589 6.887 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.299 7.879 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.799 7.963 2.116 1.00 0.00 H new ATOM 0 HG SER A 51 -7.345 10.156 1.092 1.00 0.00 H new ATOM 776 N GLY A 52 -5.113 7.495 0.031 1.00 0.00 N ATOM 777 CA GLY A 52 -4.140 7.831 -0.991 1.00 0.00 C ATOM 778 C GLY A 52 -3.825 6.659 -1.899 1.00 0.00 C ATOM 779 O GLY A 52 -4.419 5.587 -1.770 1.00 0.00 O ATOM 0 H GLY A 52 -5.335 6.502 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.518 8.659 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.222 8.175 -0.515 1.00 0.00 H new ATOM 783 N ILE A 53 -2.891 6.861 -2.822 1.00 0.00 N ATOM 784 CA ILE A 53 -2.499 5.812 -3.756 1.00 0.00 C ATOM 785 C ILE A 53 -0.987 5.621 -3.764 1.00 0.00 C ATOM 786 O ILE A 53 -0.227 6.588 -3.701 1.00 0.00 O ATOM 787 CB ILE A 53 -2.974 6.127 -5.187 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.491 7.514 -5.615 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.491 6.038 -5.273 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.621 7.767 -7.100 1.00 0.00 C ATOM 0 H ILE A 53 -2.391 7.742 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.977 4.893 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.547 5.389 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.060 8.271 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.447 7.632 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.812 6.263 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.812 5.031 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.937 6.756 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.260 8.769 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.030 7.033 -7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.667 7.682 -7.393 1.00 0.00 H new ATOM 802 N PHE A 54 -0.555 4.366 -3.845 1.00 0.00 N ATOM 803 CA PHE A 54 0.868 4.047 -3.864 1.00 0.00 C ATOM 804 C PHE A 54 1.168 2.962 -4.893 1.00 0.00 C ATOM 805 O PHE A 54 0.309 2.157 -5.252 1.00 0.00 O ATOM 806 CB PHE A 54 1.328 3.592 -2.477 1.00 0.00 C ATOM 807 CG PHE A 54 0.403 2.598 -1.835 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.700 3.025 -1.112 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.636 1.238 -1.954 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.552 2.112 -0.519 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.213 0.320 -1.364 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.309 0.759 -0.646 1.00 0.00 C ATOM 0 H PHE A 54 -1.170 3.554 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 54 1.414 4.948 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.322 3.151 -2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.418 4.464 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.896 4.082 -1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.491 0.890 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.407 2.457 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.020 -0.738 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.975 0.044 -0.185 1.00 0.00 H new ATOM 822 N PRO A 55 2.418 2.938 -5.380 1.00 0.00 N ATOM 823 CA PRO A 55 2.861 1.957 -6.375 1.00 0.00 C ATOM 824 C PRO A 55 2.955 0.549 -5.798 1.00 0.00 C ATOM 825 O PRO A 55 2.438 0.275 -4.716 1.00 0.00 O ATOM 826 CB PRO A 55 4.249 2.464 -6.778 1.00 0.00 C ATOM 827 CG PRO A 55 4.722 3.247 -5.603 1.00 0.00 C ATOM 828 CD PRO A 55 3.494 3.868 -4.996 1.00 0.00 C ATOM 0 HA PRO A 55 2.163 1.877 -7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.923 1.637 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.199 3.084 -7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.230 2.604 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.437 4.012 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.582 3.957 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.317 4.871 -5.385 1.00 0.00 H new ATOM 836 N ALA A 56 3.619 -0.341 -6.528 1.00 0.00 N ATOM 837 CA ALA A 56 3.783 -1.721 -6.087 1.00 0.00 C ATOM 838 C ALA A 56 5.245 -2.031 -5.784 1.00 0.00 C ATOM 839 O ALA A 56 5.552 -2.993 -5.080 1.00 0.00 O ATOM 840 CB ALA A 56 3.246 -2.679 -7.141 1.00 0.00 C ATOM 0 H ALA A 56 4.052 -0.131 -7.427 1.00 0.00 H new ATOM 0 HA ALA A 56 3.213 -1.853 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.375 -3.706 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.187 -2.482 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.791 -2.536 -8.074 1.00 0.00 H new ATOM 846 N SER A 57 6.142 -1.210 -6.320 1.00 0.00 N ATOM 847 CA SER A 57 7.573 -1.399 -6.110 1.00 0.00 C ATOM 848 C SER A 57 7.984 -0.935 -4.716 1.00 0.00 C ATOM 849 O SER A 57 8.749 -1.608 -4.026 1.00 0.00 O ATOM 850 CB SER A 57 8.371 -0.636 -7.169 1.00 0.00 C ATOM 851 OG SER A 57 7.943 -0.980 -8.475 1.00 0.00 O ATOM 0 H SER A 57 5.904 -0.408 -6.903 1.00 0.00 H new ATOM 0 HA SER A 57 7.790 -2.464 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.253 0.437 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.432 -0.859 -7.060 1.00 0.00 H new ATOM 0 HG SER A 57 8.467 -0.478 -9.134 1.00 0.00 H new ATOM 857 N SER A 58 7.468 0.220 -4.308 1.00 0.00 N ATOM 858 CA SER A 58 7.783 0.777 -2.997 1.00 0.00 C ATOM 859 C SER A 58 7.340 -0.167 -1.884 1.00 0.00 C ATOM 860 O SER A 58 7.975 -0.248 -0.833 1.00 0.00 O ATOM 861 CB SER A 58 7.109 2.140 -2.824 1.00 0.00 C ATOM 862 OG SER A 58 5.699 2.010 -2.782 1.00 0.00 O ATOM 0 H SER A 58 6.830 0.788 -4.866 1.00 0.00 H new ATOM 0 HA SER A 58 8.864 0.903 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.462 2.610 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.392 2.796 -3.647 1.00 0.00 H new ATOM 0 HG SER A 58 5.288 2.899 -2.798 1.00 0.00 H new ATOM 868 N VAL A 59 6.244 -0.881 -2.124 1.00 0.00 N ATOM 869 CA VAL A 59 5.715 -1.822 -1.143 1.00 0.00 C ATOM 870 C VAL A 59 5.792 -3.254 -1.659 1.00 0.00 C ATOM 871 O VAL A 59 6.152 -3.491 -2.811 1.00 0.00 O ATOM 872 CB VAL A 59 4.253 -1.494 -0.784 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.124 -0.046 -0.338 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.338 -1.781 -1.965 1.00 0.00 C ATOM 0 H VAL A 59 5.706 -0.826 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 59 6.331 -1.728 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 59 3.949 -2.132 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.084 0.167 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.749 0.122 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.446 0.613 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.309 -1.544 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.639 -1.170 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.409 -2.835 -2.232 1.00 0.00 H new ATOM 884 N GLU A 60 5.450 -4.207 -0.797 1.00 0.00 N ATOM 885 CA GLU A 60 5.481 -5.617 -1.166 1.00 0.00 C ATOM 886 C GLU A 60 4.171 -6.306 -0.793 1.00 0.00 C ATOM 887 O GLU A 60 3.610 -6.061 0.275 1.00 0.00 O ATOM 888 CB GLU A 60 6.653 -6.321 -0.479 1.00 0.00 C ATOM 889 CG GLU A 60 7.985 -6.107 -1.178 1.00 0.00 C ATOM 890 CD GLU A 60 9.007 -7.171 -0.825 1.00 0.00 C ATOM 891 OE1 GLU A 60 9.172 -7.457 0.379 1.00 0.00 O ATOM 892 OE2 GLU A 60 9.641 -7.716 -1.753 1.00 0.00 O ATOM 0 H GLU A 60 5.149 -4.028 0.161 1.00 0.00 H new ATOM 0 HA GLU A 60 5.611 -5.681 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.729 -5.963 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.446 -7.390 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.828 -6.103 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.379 -5.127 -0.909 1.00 0.00 H new ATOM 899 N VAL A 61 3.689 -7.168 -1.682 1.00 0.00 N ATOM 900 CA VAL A 61 2.446 -7.893 -1.447 1.00 0.00 C ATOM 901 C VAL A 61 2.708 -9.220 -0.743 1.00 0.00 C ATOM 902 O VAL A 61 1.834 -10.085 -0.683 1.00 0.00 O ATOM 903 CB VAL A 61 1.697 -8.164 -2.766 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.213 -8.372 -2.504 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.919 -7.024 -3.748 1.00 0.00 C ATOM 0 H VAL A 61 4.140 -7.381 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 61 1.827 -7.262 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 61 2.095 -9.077 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.300 -8.562 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.077 -9.225 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.203 -7.479 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.383 -7.232 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.549 -6.094 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.984 -6.928 -3.959 1.00 0.00 H new ATOM 915 N ILE A 62 3.916 -9.372 -0.210 1.00 0.00 N ATOM 916 CA ILE A 62 4.292 -10.593 0.492 1.00 0.00 C ATOM 917 C ILE A 62 3.572 -10.700 1.832 1.00 0.00 C ATOM 918 O ILE A 62 3.148 -11.783 2.235 1.00 0.00 O ATOM 919 CB ILE A 62 5.812 -10.658 0.732 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.277 -9.441 1.533 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.554 -10.741 -0.594 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.238 -9.653 3.030 1.00 0.00 C ATOM 0 H ILE A 62 4.650 -8.665 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 62 3.997 -11.427 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 62 6.036 -11.555 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.295 -9.188 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.649 -8.587 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.627 -10.786 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.241 -11.636 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.327 -9.860 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.581 -8.750 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.217 -9.876 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.888 -10.486 3.297 1.00 0.00 H new