USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 669 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 15 LYS NZ :NH3+ -150:sc= -0.0347 (180deg=-1.08) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -159:sc= -0.0657 (180deg=-0.45) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc=-0.00457 (180deg=-0.154) USER MOD Single : A 57 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 66 CYS SG : rot -160:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 31:sc= -0.386 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -11:sc= 1.24 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.594) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -4.36 F(o=-5.2!,f=-4.4) USER MOD Single : A 92 SER OG : rot 19:sc= -1.2 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= -0.0906 (180deg=-1.14) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.839 17.026 -4.257 1.00 0.00 N ATOM 86 CA GLY A 9 12.550 17.476 -4.749 1.00 0.00 C ATOM 87 C GLY A 9 11.460 17.372 -3.700 1.00 0.00 C ATOM 88 O GLY A 9 11.718 17.547 -2.509 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.633 18.511 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.270 16.883 -5.620 1.00 0.00 H new ATOM 92 N ASP A 10 10.241 17.087 -4.143 1.00 0.00 N ATOM 93 CA ASP A 10 9.108 16.961 -3.233 1.00 0.00 C ATOM 94 C ASP A 10 8.207 15.801 -3.645 1.00 0.00 C ATOM 95 O ASP A 10 7.682 15.775 -4.758 1.00 0.00 O ATOM 96 CB ASP A 10 8.303 18.262 -3.203 1.00 0.00 C ATOM 97 CG ASP A 10 8.921 19.303 -2.291 1.00 0.00 C ATOM 98 OD1 ASP A 10 9.239 18.963 -1.132 1.00 0.00 O ATOM 99 OD2 ASP A 10 9.086 20.459 -2.736 1.00 0.00 O ATOM 0 H ASP A 10 10.012 16.939 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 10 9.496 16.760 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.231 18.665 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.287 18.050 -2.871 1.00 0.00 H new ATOM 104 N ALA A 11 8.034 14.843 -2.741 1.00 0.00 N ATOM 105 CA ALA A 11 7.196 13.680 -3.010 1.00 0.00 C ATOM 106 C ALA A 11 5.784 14.101 -3.401 1.00 0.00 C ATOM 107 O ALA A 11 5.127 13.434 -4.201 1.00 0.00 O ATOM 108 CB ALA A 11 7.159 12.764 -1.796 1.00 0.00 C ATOM 0 H ALA A 11 8.463 14.849 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 11 7.630 13.136 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.530 11.900 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.169 12.428 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.751 13.307 -0.943 1.00 0.00 H new ATOM 114 N ARG A 12 5.322 15.209 -2.831 1.00 0.00 N ATOM 115 CA ARG A 12 3.986 15.716 -3.119 1.00 0.00 C ATOM 116 C ARG A 12 3.765 15.842 -4.624 1.00 0.00 C ATOM 117 O ARG A 12 2.711 15.469 -5.140 1.00 0.00 O ATOM 118 CB ARG A 12 3.777 17.075 -2.447 1.00 0.00 C ATOM 119 CG ARG A 12 3.943 17.039 -0.937 1.00 0.00 C ATOM 120 CD ARG A 12 4.199 18.427 -0.371 1.00 0.00 C ATOM 121 NE ARG A 12 3.106 19.349 -0.669 1.00 0.00 N ATOM 122 CZ ARG A 12 3.245 20.670 -0.692 1.00 0.00 C ATOM 123 NH1 ARG A 12 4.423 21.221 -0.436 1.00 0.00 N ATOM 124 NH2 ARG A 12 2.203 21.443 -0.971 1.00 0.00 N ATOM 0 H ARG A 12 5.853 15.773 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 12 3.262 15.006 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.485 17.790 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.778 17.439 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.046 16.619 -0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.771 16.380 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.332 18.359 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.128 18.821 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 12 2.186 18.957 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.226 20.630 -0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.526 22.236 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.295 21.023 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.311 22.457 -0.988 1.00 0.00 H new ATOM 138 N ARG A 13 4.765 16.370 -5.322 1.00 0.00 N ATOM 139 CA ARG A 13 4.679 16.546 -6.766 1.00 0.00 C ATOM 140 C ARG A 13 4.835 15.210 -7.488 1.00 0.00 C ATOM 141 O ARG A 13 4.241 14.990 -8.543 1.00 0.00 O ATOM 142 CB ARG A 13 5.752 17.526 -7.247 1.00 0.00 C ATOM 143 CG ARG A 13 5.767 18.837 -6.478 1.00 0.00 C ATOM 144 CD ARG A 13 6.317 19.973 -7.326 1.00 0.00 C ATOM 145 NE ARG A 13 6.161 21.269 -6.671 1.00 0.00 N ATOM 146 CZ ARG A 13 6.358 22.431 -7.285 1.00 0.00 C ATOM 147 NH1 ARG A 13 6.717 22.458 -8.561 1.00 0.00 N ATOM 148 NH2 ARG A 13 6.197 23.569 -6.622 1.00 0.00 N ATOM 0 H ARG A 13 5.644 16.683 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 13 3.695 16.952 -6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.730 17.052 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.592 17.736 -8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.756 19.081 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.373 18.726 -5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.373 19.795 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.804 19.989 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 13 5.886 21.283 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.843 21.585 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.867 23.351 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.922 23.553 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.349 24.460 -7.094 1.00 0.00 H new ATOM 162 N ALA A 14 5.639 14.323 -6.911 1.00 0.00 N ATOM 163 CA ALA A 14 5.872 13.009 -7.497 1.00 0.00 C ATOM 164 C ALA A 14 4.557 12.289 -7.772 1.00 0.00 C ATOM 165 O ALA A 14 3.659 12.271 -6.929 1.00 0.00 O ATOM 166 CB ALA A 14 6.754 12.172 -6.583 1.00 0.00 C ATOM 0 H ALA A 14 6.140 14.491 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 14 6.384 13.149 -8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.920 11.193 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.712 12.673 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.264 12.049 -5.617 1.00 0.00 H new ATOM 172 N LYS A 15 4.448 11.696 -8.956 1.00 0.00 N ATOM 173 CA LYS A 15 3.242 10.973 -9.342 1.00 0.00 C ATOM 174 C LYS A 15 3.517 9.477 -9.456 1.00 0.00 C ATOM 175 O LYS A 15 4.650 9.061 -9.697 1.00 0.00 O ATOM 176 CB LYS A 15 2.707 11.507 -10.672 1.00 0.00 C ATOM 177 CG LYS A 15 1.806 12.721 -10.523 1.00 0.00 C ATOM 178 CD LYS A 15 1.482 13.344 -11.871 1.00 0.00 C ATOM 179 CE LYS A 15 0.239 12.721 -12.488 1.00 0.00 C ATOM 180 NZ LYS A 15 0.545 11.435 -13.173 1.00 0.00 N ATOM 0 H LYS A 15 5.181 11.702 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 15 2.492 11.128 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.549 11.766 -11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.154 10.714 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.882 12.430 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.293 13.460 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.331 14.417 -11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.328 13.215 -12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.506 12.550 -11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.200 13.418 -13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.116 11.297 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.519 11.458 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.445 10.650 -12.498 1.00 0.00 H new ATOM 194 N VAL A 16 2.473 8.673 -9.281 1.00 0.00 N ATOM 195 CA VAL A 16 2.602 7.223 -9.367 1.00 0.00 C ATOM 196 C VAL A 16 1.432 6.612 -10.131 1.00 0.00 C ATOM 197 O VAL A 16 0.273 6.782 -9.752 1.00 0.00 O ATOM 198 CB VAL A 16 2.678 6.583 -7.968 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.118 6.537 -7.480 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.798 7.341 -6.987 1.00 0.00 C ATOM 0 H VAL A 16 1.529 9.001 -9.079 1.00 0.00 H new ATOM 0 HA VAL A 16 3.529 7.018 -9.903 1.00 0.00 H new ATOM 0 HB VAL A 16 2.309 5.559 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.152 6.082 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.718 5.946 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.517 7.550 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.864 6.875 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.134 8.376 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.764 7.316 -7.332 1.00 0.00 H new ATOM 210 N TYR A 17 1.744 5.898 -11.207 1.00 0.00 N ATOM 211 CA TYR A 17 0.719 5.262 -12.026 1.00 0.00 C ATOM 212 C TYR A 17 1.124 3.839 -12.396 1.00 0.00 C ATOM 213 O TYR A 17 2.283 3.572 -12.710 1.00 0.00 O ATOM 214 CB TYR A 17 0.470 6.080 -13.294 1.00 0.00 C ATOM 215 CG TYR A 17 1.705 6.776 -13.818 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.124 7.988 -13.282 1.00 0.00 C ATOM 217 CD2 TYR A 17 2.453 6.224 -14.851 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.252 8.628 -13.758 1.00 0.00 C ATOM 219 CE2 TYR A 17 3.582 6.856 -15.333 1.00 0.00 C ATOM 220 CZ TYR A 17 3.978 8.058 -14.783 1.00 0.00 C ATOM 221 OH TYR A 17 5.102 8.692 -15.261 1.00 0.00 O ATOM 0 H TYR A 17 2.699 5.745 -11.532 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.201 5.219 -11.444 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.078 5.422 -14.069 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.298 6.826 -13.090 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.558 8.437 -12.479 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.146 5.284 -15.285 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.564 9.569 -13.330 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.152 6.412 -16.136 1.00 0.00 H new ATOM 0 HH TYR A 17 5.497 8.158 -15.981 1.00 0.00 H new ATOM 231 N GLY A 18 0.157 2.927 -12.359 1.00 0.00 N ATOM 232 CA GLY A 18 0.430 1.541 -12.693 1.00 0.00 C ATOM 233 C GLY A 18 -0.721 0.621 -12.338 1.00 0.00 C ATOM 234 O GLY A 18 -1.803 1.082 -11.973 1.00 0.00 O ATOM 0 H GLY A 18 -0.811 3.123 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.638 1.462 -13.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.328 1.214 -12.168 1.00 0.00 H new ATOM 238 N ARG A 19 -0.488 -0.683 -12.445 1.00 0.00 N ATOM 239 CA ARG A 19 -1.516 -1.670 -12.136 1.00 0.00 C ATOM 240 C ARG A 19 -1.283 -2.283 -10.757 1.00 0.00 C ATOM 241 O ARG A 19 -2.217 -2.755 -10.111 1.00 0.00 O ATOM 242 CB ARG A 19 -1.533 -2.770 -13.198 1.00 0.00 C ATOM 243 CG ARG A 19 -2.477 -3.916 -12.873 1.00 0.00 C ATOM 244 CD ARG A 19 -2.233 -5.113 -13.779 1.00 0.00 C ATOM 245 NE ARG A 19 -3.083 -6.248 -13.428 1.00 0.00 N ATOM 246 CZ ARG A 19 -3.158 -7.361 -14.149 1.00 0.00 C ATOM 247 NH1 ARG A 19 -2.439 -7.488 -15.255 1.00 0.00 N ATOM 248 NH2 ARG A 19 -3.955 -8.350 -13.764 1.00 0.00 N ATOM 0 H ARG A 19 0.403 -1.080 -12.743 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.481 -1.164 -12.132 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.820 -2.335 -14.155 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.524 -3.164 -13.317 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.346 -4.213 -11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.509 -3.581 -12.981 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.419 -4.828 -14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.186 -5.410 -13.713 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.650 -6.182 -12.583 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.826 -6.730 -15.555 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.499 -8.344 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.511 -8.256 -12.914 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.012 -9.204 -14.318 1.00 0.00 H new ATOM 262 N GLY A 20 -0.029 -2.271 -10.314 1.00 0.00 N ATOM 263 CA GLY A 20 0.304 -2.829 -9.016 1.00 0.00 C ATOM 264 C GLY A 20 0.188 -1.809 -7.901 1.00 0.00 C ATOM 265 O GLY A 20 0.882 -1.905 -6.887 1.00 0.00 O ATOM 0 H GLY A 20 0.761 -1.885 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.356 -3.670 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.321 -3.221 -9.042 1.00 0.00 H new ATOM 269 N LEU A 21 -0.691 -0.830 -8.085 1.00 0.00 N ATOM 270 CA LEU A 21 -0.894 0.213 -7.086 1.00 0.00 C ATOM 271 C LEU A 21 -2.340 0.226 -6.599 1.00 0.00 C ATOM 272 O LEU A 21 -2.617 0.592 -5.457 1.00 0.00 O ATOM 273 CB LEU A 21 -0.528 1.581 -7.666 1.00 0.00 C ATOM 274 CG LEU A 21 0.923 1.752 -8.117 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.081 3.025 -8.934 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.856 1.768 -6.915 1.00 0.00 C ATOM 0 H LEU A 21 -1.274 -0.737 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.245 -0.001 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.178 1.778 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.747 2.342 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 21 1.190 0.904 -8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.120 3.130 -9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.441 2.974 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.796 3.884 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.885 1.890 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.589 2.596 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.763 0.829 -6.370 1.00 0.00 H new ATOM 288 N SER A 22 -3.257 -0.179 -7.472 1.00 0.00 N ATOM 289 CA SER A 22 -4.674 -0.213 -7.131 1.00 0.00 C ATOM 290 C SER A 22 -5.142 -1.647 -6.896 1.00 0.00 C ATOM 291 O SER A 22 -5.624 -1.984 -5.816 1.00 0.00 O ATOM 292 CB SER A 22 -5.504 0.430 -8.243 1.00 0.00 C ATOM 293 OG SER A 22 -5.078 1.758 -8.494 1.00 0.00 O ATOM 0 H SER A 22 -3.044 -0.488 -8.420 1.00 0.00 H new ATOM 0 HA SER A 22 -4.814 0.353 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.417 -0.162 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.557 0.430 -7.962 1.00 0.00 H new ATOM 0 HG SER A 22 -5.623 2.147 -9.210 1.00 0.00 H new ATOM 299 N GLU A 23 -4.995 -2.485 -7.917 1.00 0.00 N ATOM 300 CA GLU A 23 -5.403 -3.882 -7.823 1.00 0.00 C ATOM 301 C GLU A 23 -4.249 -4.812 -8.185 1.00 0.00 C ATOM 302 O GLU A 23 -3.138 -4.361 -8.464 1.00 0.00 O ATOM 303 CB GLU A 23 -6.597 -4.151 -8.742 1.00 0.00 C ATOM 304 CG GLU A 23 -6.426 -3.586 -10.142 1.00 0.00 C ATOM 305 CD GLU A 23 -6.880 -2.143 -10.249 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.933 -1.809 -9.667 1.00 0.00 O ATOM 307 OE2 GLU A 23 -6.182 -1.349 -10.913 1.00 0.00 O ATOM 0 H GLU A 23 -4.597 -2.221 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.696 -4.079 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.757 -5.227 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.494 -3.723 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.378 -3.655 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.993 -4.194 -10.847 1.00 0.00 H new ATOM 314 N GLY A 24 -4.520 -6.113 -8.177 1.00 0.00 N ATOM 315 CA GLY A 24 -3.495 -7.087 -8.505 1.00 0.00 C ATOM 316 C GLY A 24 -3.982 -8.514 -8.356 1.00 0.00 C ATOM 317 O GLY A 24 -5.131 -8.749 -7.979 1.00 0.00 O ATOM 0 H GLY A 24 -5.431 -6.510 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.160 -6.926 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.631 -6.932 -7.859 1.00 0.00 H new ATOM 321 N ARG A 25 -3.108 -9.470 -8.654 1.00 0.00 N ATOM 322 CA ARG A 25 -3.457 -10.882 -8.554 1.00 0.00 C ATOM 323 C ARG A 25 -2.238 -11.718 -8.174 1.00 0.00 C ATOM 324 O ARG A 25 -1.098 -11.321 -8.419 1.00 0.00 O ATOM 325 CB ARG A 25 -4.038 -11.381 -9.878 1.00 0.00 C ATOM 326 CG ARG A 25 -5.548 -11.237 -9.974 1.00 0.00 C ATOM 327 CD ARG A 25 -6.137 -12.210 -10.984 1.00 0.00 C ATOM 328 NE ARG A 25 -7.508 -11.860 -11.345 1.00 0.00 N ATOM 329 CZ ARG A 25 -7.820 -10.879 -12.185 1.00 0.00 C ATOM 330 NH1 ARG A 25 -6.862 -10.155 -12.747 1.00 0.00 N ATOM 331 NH2 ARG A 25 -9.091 -10.621 -12.463 1.00 0.00 N ATOM 0 H ARG A 25 -2.153 -9.292 -8.967 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.208 -10.990 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.576 -10.831 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.773 -12.430 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.994 -11.412 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.800 -10.216 -10.261 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.517 -12.221 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.117 -13.218 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.268 -12.398 -10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.884 -10.351 -12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.103 -9.402 -13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.830 -11.176 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.329 -9.868 -13.108 1.00 0.00 H new ATOM 345 N THR A 26 -2.486 -12.878 -7.573 1.00 0.00 N ATOM 346 CA THR A 26 -1.410 -13.768 -7.157 1.00 0.00 C ATOM 347 C THR A 26 -0.656 -14.320 -8.362 1.00 0.00 C ATOM 348 O THR A 26 -1.215 -14.445 -9.452 1.00 0.00 O ATOM 349 CB THR A 26 -1.946 -14.944 -6.319 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.942 -15.659 -7.058 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.538 -14.448 -5.008 1.00 0.00 C ATOM 0 H THR A 26 -3.423 -13.223 -7.364 1.00 0.00 H new ATOM 0 HA THR A 26 -0.729 -13.176 -6.545 1.00 0.00 H new ATOM 0 HB THR A 26 -1.113 -15.611 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.276 -16.406 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.910 -15.296 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.769 -13.930 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.359 -13.762 -5.216 1.00 0.00 H new ATOM 359 N PHE A 27 0.615 -14.650 -8.159 1.00 0.00 N ATOM 360 CA PHE A 27 1.446 -15.188 -9.230 1.00 0.00 C ATOM 361 C PHE A 27 1.349 -14.322 -10.482 1.00 0.00 C ATOM 362 O PHE A 27 1.424 -14.823 -11.603 1.00 0.00 O ATOM 363 CB PHE A 27 1.027 -16.623 -9.556 1.00 0.00 C ATOM 364 CG PHE A 27 1.513 -17.632 -8.554 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.352 -17.412 -7.196 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.132 -18.799 -8.971 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.798 -18.338 -6.271 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.579 -19.729 -8.051 1.00 0.00 C ATOM 369 CZ PHE A 27 2.413 -19.498 -6.700 1.00 0.00 C ATOM 0 H PHE A 27 1.092 -14.554 -7.263 1.00 0.00 H new ATOM 0 HA PHE A 27 2.481 -15.187 -8.888 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.061 -16.672 -9.611 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.408 -16.889 -10.542 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.872 -16.506 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.267 -18.984 -10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.666 -18.155 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.058 -20.636 -8.389 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.763 -20.223 -5.980 1.00 0.00 H new ATOM 379 N GLU A 28 1.181 -13.018 -10.280 1.00 0.00 N ATOM 380 CA GLU A 28 1.073 -12.082 -11.393 1.00 0.00 C ATOM 381 C GLU A 28 1.968 -10.867 -11.171 1.00 0.00 C ATOM 382 O GLU A 28 1.779 -10.108 -10.221 1.00 0.00 O ATOM 383 CB GLU A 28 -0.379 -11.633 -11.571 1.00 0.00 C ATOM 384 CG GLU A 28 -1.274 -12.697 -12.184 1.00 0.00 C ATOM 385 CD GLU A 28 -1.233 -12.692 -13.699 1.00 0.00 C ATOM 386 OE1 GLU A 28 -0.357 -13.374 -14.272 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.077 -12.006 -14.313 1.00 0.00 O ATOM 0 H GLU A 28 1.117 -12.587 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 28 1.402 -12.594 -12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.783 -11.345 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.401 -10.744 -12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.968 -13.678 -11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.300 -12.539 -11.852 1.00 0.00 H new ATOM 394 N MET A 29 2.945 -10.690 -12.054 1.00 0.00 N ATOM 395 CA MET A 29 3.871 -9.567 -11.955 1.00 0.00 C ATOM 396 C MET A 29 3.130 -8.239 -12.080 1.00 0.00 C ATOM 397 O MET A 29 2.564 -7.930 -13.129 1.00 0.00 O ATOM 398 CB MET A 29 4.946 -9.668 -13.038 1.00 0.00 C ATOM 399 CG MET A 29 6.052 -8.635 -12.895 1.00 0.00 C ATOM 400 SD MET A 29 7.624 -9.200 -13.575 1.00 0.00 S ATOM 401 CE MET A 29 8.570 -9.453 -12.075 1.00 0.00 C ATOM 0 H MET A 29 3.116 -11.309 -12.846 1.00 0.00 H new ATOM 0 HA MET A 29 4.348 -9.606 -10.975 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.386 -10.665 -13.010 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.477 -9.553 -14.015 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.752 -7.716 -13.398 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.183 -8.393 -11.840 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.634 -9.436 -12.309 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.342 -8.660 -11.363 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.310 -10.418 -11.639 1.00 0.00 H new ATOM 411 N SER A 30 3.137 -7.459 -11.004 1.00 0.00 N ATOM 412 CA SER A 30 2.462 -6.167 -10.993 1.00 0.00 C ATOM 413 C SER A 30 3.463 -5.033 -10.794 1.00 0.00 C ATOM 414 O SER A 30 3.888 -4.754 -9.673 1.00 0.00 O ATOM 415 CB SER A 30 1.406 -6.129 -9.887 1.00 0.00 C ATOM 416 OG SER A 30 0.340 -7.020 -10.168 1.00 0.00 O ATOM 0 H SER A 30 3.603 -7.699 -10.129 1.00 0.00 H new ATOM 0 HA SER A 30 1.973 -6.032 -11.958 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.864 -6.394 -8.934 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.019 -5.115 -9.784 1.00 0.00 H new ATOM 0 HG SER A 30 -0.321 -6.978 -9.445 1.00 0.00 H new ATOM 422 N ASP A 31 3.835 -4.382 -11.891 1.00 0.00 N ATOM 423 CA ASP A 31 4.786 -3.277 -11.839 1.00 0.00 C ATOM 424 C ASP A 31 4.077 -1.941 -12.036 1.00 0.00 C ATOM 425 O ASP A 31 3.000 -1.879 -12.630 1.00 0.00 O ATOM 426 CB ASP A 31 5.868 -3.456 -12.905 1.00 0.00 C ATOM 427 CG ASP A 31 5.317 -4.025 -14.199 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.863 -3.232 -15.050 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.342 -5.263 -14.360 1.00 0.00 O ATOM 0 H ASP A 31 3.493 -4.600 -12.827 1.00 0.00 H new ATOM 0 HA ASP A 31 5.254 -3.279 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.339 -2.494 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.645 -4.117 -12.522 1.00 0.00 H new ATOM 434 N PHE A 32 4.687 -0.873 -11.533 1.00 0.00 N ATOM 435 CA PHE A 32 4.113 0.462 -11.652 1.00 0.00 C ATOM 436 C PHE A 32 5.206 1.507 -11.863 1.00 0.00 C ATOM 437 O PHE A 32 6.347 1.321 -11.440 1.00 0.00 O ATOM 438 CB PHE A 32 3.301 0.804 -10.401 1.00 0.00 C ATOM 439 CG PHE A 32 4.085 0.685 -9.125 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.122 -0.512 -8.429 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.784 1.770 -8.623 1.00 0.00 C ATOM 442 CE1 PHE A 32 4.842 -0.626 -7.255 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.507 1.663 -7.450 1.00 0.00 C ATOM 444 CZ PHE A 32 5.535 0.464 -6.764 1.00 0.00 C ATOM 0 H PHE A 32 5.579 -0.906 -11.039 1.00 0.00 H new ATOM 0 HA PHE A 32 3.453 0.471 -12.520 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.922 1.822 -10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.435 0.144 -10.348 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.582 -1.367 -8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.764 2.710 -9.154 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.863 -1.565 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.050 2.516 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.097 0.379 -5.846 1.00 0.00 H new ATOM 454 N ILE A 33 4.847 2.604 -12.521 1.00 0.00 N ATOM 455 CA ILE A 33 5.796 3.678 -12.789 1.00 0.00 C ATOM 456 C ILE A 33 5.740 4.745 -11.701 1.00 0.00 C ATOM 457 O ILE A 33 4.704 4.948 -11.068 1.00 0.00 O ATOM 458 CB ILE A 33 5.527 4.339 -14.154 1.00 0.00 C ATOM 459 CG1 ILE A 33 6.101 3.479 -15.283 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.123 5.738 -14.191 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.568 3.155 -15.110 1.00 0.00 C ATOM 0 H ILE A 33 3.907 2.773 -12.878 1.00 0.00 H new ATOM 0 HA ILE A 33 6.788 3.227 -12.802 1.00 0.00 H new ATOM 0 HB ILE A 33 4.449 4.420 -14.296 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.536 2.549 -15.343 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.961 3.998 -16.231 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.925 6.192 -15.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.672 6.346 -13.407 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.200 5.679 -14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.907 2.543 -15.946 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.144 4.080 -15.080 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.712 2.608 -14.178 1.00 0.00 H new ATOM 473 N VAL A 34 6.862 5.426 -11.489 1.00 0.00 N ATOM 474 CA VAL A 34 6.940 6.475 -10.479 1.00 0.00 C ATOM 475 C VAL A 34 7.465 7.775 -11.078 1.00 0.00 C ATOM 476 O VAL A 34 8.674 7.960 -11.223 1.00 0.00 O ATOM 477 CB VAL A 34 7.849 6.058 -9.307 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.115 7.243 -8.391 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.225 4.906 -8.534 1.00 0.00 C ATOM 0 H VAL A 34 7.729 5.270 -12.003 1.00 0.00 H new ATOM 0 HA VAL A 34 5.928 6.633 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 34 8.803 5.720 -9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.759 6.930 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.606 8.036 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.171 7.613 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.880 4.624 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.257 5.215 -8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.090 4.053 -9.199 1.00 0.00 H new ATOM 489 N ASP A 35 6.549 8.673 -11.423 1.00 0.00 N ATOM 490 CA ASP A 35 6.919 9.958 -12.004 1.00 0.00 C ATOM 491 C ASP A 35 7.583 10.854 -10.963 1.00 0.00 C ATOM 492 O ASP A 35 6.923 11.369 -10.060 1.00 0.00 O ATOM 493 CB ASP A 35 5.686 10.654 -12.583 1.00 0.00 C ATOM 494 CG ASP A 35 5.825 12.164 -12.594 1.00 0.00 C ATOM 495 OD1 ASP A 35 5.498 12.796 -11.568 1.00 0.00 O ATOM 496 OD2 ASP A 35 6.260 12.713 -13.628 1.00 0.00 O ATOM 0 H ASP A 35 5.545 8.535 -11.310 1.00 0.00 H new ATOM 0 HA ASP A 35 7.633 9.774 -12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.517 10.300 -13.600 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.808 10.377 -11.999 1.00 0.00 H new ATOM 501 N THR A 36 8.893 11.037 -11.095 1.00 0.00 N ATOM 502 CA THR A 36 9.646 11.869 -10.166 1.00 0.00 C ATOM 503 C THR A 36 10.284 13.054 -10.881 1.00 0.00 C ATOM 504 O THR A 36 11.133 13.746 -10.320 1.00 0.00 O ATOM 505 CB THR A 36 10.748 11.060 -9.455 1.00 0.00 C ATOM 506 OG1 THR A 36 11.454 10.253 -10.404 1.00 0.00 O ATOM 507 CG2 THR A 36 10.154 10.174 -8.370 1.00 0.00 C ATOM 0 H THR A 36 9.454 10.620 -11.837 1.00 0.00 H new ATOM 0 HA THR A 36 8.937 12.235 -9.424 1.00 0.00 H new ATOM 0 HB THR A 36 11.440 11.762 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.154 9.744 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.951 9.613 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.643 10.794 -7.633 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.442 9.480 -8.816 1.00 0.00 H new ATOM 515 N ARG A 37 9.868 13.283 -12.123 1.00 0.00 N ATOM 516 CA ARG A 37 10.399 14.386 -12.915 1.00 0.00 C ATOM 517 C ARG A 37 9.933 15.729 -12.360 1.00 0.00 C ATOM 518 O ARG A 37 10.717 16.671 -12.247 1.00 0.00 O ATOM 519 CB ARG A 37 9.966 14.247 -14.376 1.00 0.00 C ATOM 520 CG ARG A 37 10.206 12.862 -14.953 1.00 0.00 C ATOM 521 CD ARG A 37 9.571 12.714 -16.327 1.00 0.00 C ATOM 522 NE ARG A 37 8.137 12.988 -16.299 1.00 0.00 N ATOM 523 CZ ARG A 37 7.439 13.362 -17.366 1.00 0.00 C ATOM 524 NH1 ARG A 37 8.041 13.506 -18.539 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.137 13.593 -17.261 1.00 0.00 N ATOM 0 H ARG A 37 9.165 12.720 -12.602 1.00 0.00 H new ATOM 0 HA ARG A 37 11.487 14.349 -12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.906 14.486 -14.456 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.504 14.980 -14.977 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.278 12.677 -15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.797 12.110 -14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.057 13.395 -17.026 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.740 11.703 -16.697 1.00 0.00 H new ATOM 0 HE ARG A 37 7.644 12.887 -15.412 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.042 13.330 -18.624 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.503 13.793 -19.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.671 13.484 -16.360 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.602 13.880 -18.081 1.00 0.00 H new ATOM 539 N ASP A 38 8.652 15.808 -12.017 1.00 0.00 N ATOM 540 CA ASP A 38 8.081 17.035 -11.473 1.00 0.00 C ATOM 541 C ASP A 38 8.479 17.219 -10.012 1.00 0.00 C ATOM 542 O ASP A 38 8.376 18.316 -9.464 1.00 0.00 O ATOM 543 CB ASP A 38 6.557 17.013 -11.601 1.00 0.00 C ATOM 544 CG ASP A 38 5.902 18.197 -10.917 1.00 0.00 C ATOM 545 OD1 ASP A 38 6.478 19.304 -10.968 1.00 0.00 O ATOM 546 OD2 ASP A 38 4.814 18.017 -10.331 1.00 0.00 O ATOM 0 H ASP A 38 7.990 15.038 -12.106 1.00 0.00 H new ATOM 0 HA ASP A 38 8.474 17.875 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.284 17.010 -12.656 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.172 16.089 -11.169 1.00 0.00 H new ATOM 551 N ALA A 39 8.933 16.137 -9.387 1.00 0.00 N ATOM 552 CA ALA A 39 9.348 16.180 -7.991 1.00 0.00 C ATOM 553 C ALA A 39 10.780 16.688 -7.858 1.00 0.00 C ATOM 554 O ALA A 39 11.028 17.720 -7.236 1.00 0.00 O ATOM 555 CB ALA A 39 9.213 14.803 -7.358 1.00 0.00 C ATOM 0 H ALA A 39 9.022 15.221 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 39 8.694 16.876 -7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.526 14.850 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.174 14.479 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.842 14.093 -7.894 1.00 0.00 H new ATOM 561 N GLY A 40 11.720 15.955 -8.447 1.00 0.00 N ATOM 562 CA GLY A 40 13.116 16.347 -8.382 1.00 0.00 C ATOM 563 C GLY A 40 14.041 15.164 -8.177 1.00 0.00 C ATOM 564 O GLY A 40 14.067 14.239 -8.990 1.00 0.00 O ATOM 0 H GLY A 40 11.540 15.097 -8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.389 16.862 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.253 17.057 -7.567 1.00 0.00 H new ATOM 568 N TYR A 41 14.804 15.193 -7.091 1.00 0.00 N ATOM 569 CA TYR A 41 15.739 14.117 -6.784 1.00 0.00 C ATOM 570 C TYR A 41 15.646 13.717 -5.315 1.00 0.00 C ATOM 571 O TYR A 41 15.146 14.473 -4.484 1.00 0.00 O ATOM 572 CB TYR A 41 17.169 14.544 -7.119 1.00 0.00 C ATOM 573 CG TYR A 41 18.124 13.384 -7.290 1.00 0.00 C ATOM 574 CD1 TYR A 41 17.996 12.507 -8.360 1.00 0.00 C ATOM 575 CD2 TYR A 41 19.152 13.165 -6.382 1.00 0.00 C ATOM 576 CE1 TYR A 41 18.865 11.445 -8.520 1.00 0.00 C ATOM 577 CE2 TYR A 41 20.027 12.107 -6.535 1.00 0.00 C ATOM 578 CZ TYR A 41 19.879 11.249 -7.606 1.00 0.00 C ATOM 579 OH TYR A 41 20.747 10.193 -7.761 1.00 0.00 O ATOM 0 H TYR A 41 14.794 15.950 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 41 15.473 13.254 -7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.158 15.133 -8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.540 15.195 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.204 12.658 -9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.269 13.833 -5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.751 10.772 -9.357 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.822 11.952 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 41 21.402 10.199 -7.032 1.00 0.00 H new ATOM 589 N GLY A 42 16.135 12.520 -5.002 1.00 0.00 N ATOM 590 CA GLY A 42 16.099 12.039 -3.633 1.00 0.00 C ATOM 591 C GLY A 42 16.102 10.525 -3.551 1.00 0.00 C ATOM 592 O GLY A 42 15.815 9.842 -4.533 1.00 0.00 O ATOM 0 H GLY A 42 16.555 11.876 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.959 12.431 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.208 12.425 -3.139 1.00 0.00 H new ATOM 596 N GLY A 43 16.431 9.999 -2.374 1.00 0.00 N ATOM 597 CA GLY A 43 16.467 8.560 -2.190 1.00 0.00 C ATOM 598 C GLY A 43 15.082 7.957 -2.063 1.00 0.00 C ATOM 599 O GLY A 43 14.343 8.274 -1.131 1.00 0.00 O ATOM 0 H GLY A 43 16.673 10.543 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.983 8.102 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.045 8.325 -1.296 1.00 0.00 H new ATOM 603 N ILE A 44 14.729 7.087 -3.004 1.00 0.00 N ATOM 604 CA ILE A 44 13.424 6.439 -2.993 1.00 0.00 C ATOM 605 C ILE A 44 13.449 5.166 -2.156 1.00 0.00 C ATOM 606 O ILE A 44 14.350 4.338 -2.292 1.00 0.00 O ATOM 607 CB ILE A 44 12.955 6.094 -4.419 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.895 7.357 -5.280 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.598 5.408 -4.379 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.760 7.074 -6.760 1.00 0.00 C ATOM 0 H ILE A 44 15.329 6.815 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 44 12.724 7.147 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 44 13.674 5.407 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.052 7.967 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.797 7.945 -5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.280 5.171 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.672 4.489 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.868 6.072 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.724 8.015 -7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.616 6.490 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.843 6.513 -6.941 1.00 0.00 H new ATOM 622 N SER A 45 12.452 5.014 -1.289 1.00 0.00 N ATOM 623 CA SER A 45 12.361 3.841 -0.427 1.00 0.00 C ATOM 624 C SER A 45 11.105 3.033 -0.741 1.00 0.00 C ATOM 625 O SER A 45 9.996 3.568 -0.760 1.00 0.00 O ATOM 626 CB SER A 45 12.355 4.263 1.044 1.00 0.00 C ATOM 627 OG SER A 45 13.582 4.871 1.405 1.00 0.00 O ATOM 0 H SER A 45 11.697 5.688 -1.165 1.00 0.00 H new ATOM 0 HA SER A 45 13.232 3.214 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.535 4.958 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.178 3.392 1.675 1.00 0.00 H new ATOM 0 HG SER A 45 13.552 5.133 2.349 1.00 0.00 H new ATOM 633 N LEU A 46 11.289 1.740 -0.988 1.00 0.00 N ATOM 634 CA LEU A 46 10.172 0.856 -1.302 1.00 0.00 C ATOM 635 C LEU A 46 10.155 -0.351 -0.369 1.00 0.00 C ATOM 636 O LEU A 46 11.172 -1.017 -0.180 1.00 0.00 O ATOM 637 CB LEU A 46 10.258 0.390 -2.756 1.00 0.00 C ATOM 638 CG LEU A 46 10.172 1.486 -3.818 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.757 1.000 -5.136 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.730 1.935 -4.006 1.00 0.00 C ATOM 0 H LEU A 46 12.200 1.281 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 46 9.247 1.415 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.198 -0.145 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.456 -0.326 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 46 10.756 2.341 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.687 1.794 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.803 0.729 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.201 0.129 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.688 2.716 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.123 1.087 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.344 2.325 -3.064 1.00 0.00 H new ATOM 652 N ALA A 47 8.991 -0.629 0.210 1.00 0.00 N ATOM 653 CA ALA A 47 8.840 -1.758 1.119 1.00 0.00 C ATOM 654 C ALA A 47 7.404 -2.272 1.123 1.00 0.00 C ATOM 655 O ALA A 47 6.496 -1.604 1.617 1.00 0.00 O ATOM 656 CB ALA A 47 9.265 -1.363 2.526 1.00 0.00 C ATOM 0 H ALA A 47 8.139 -0.087 0.065 1.00 0.00 H new ATOM 0 HA ALA A 47 9.485 -2.563 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.147 -2.216 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.309 -1.051 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.643 -0.539 2.876 1.00 0.00 H new ATOM 662 N VAL A 48 7.206 -3.463 0.567 1.00 0.00 N ATOM 663 CA VAL A 48 5.880 -4.067 0.507 1.00 0.00 C ATOM 664 C VAL A 48 5.640 -4.986 1.699 1.00 0.00 C ATOM 665 O VAL A 48 6.363 -5.962 1.898 1.00 0.00 O ATOM 666 CB VAL A 48 5.688 -4.870 -0.793 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.308 -5.508 -0.828 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.904 -3.979 -2.007 1.00 0.00 C ATOM 0 H VAL A 48 7.946 -4.029 0.152 1.00 0.00 H new ATOM 0 HA VAL A 48 5.159 -3.250 0.531 1.00 0.00 H new ATOM 0 HB VAL A 48 6.431 -5.667 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.191 -6.071 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.196 -6.181 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.546 -4.730 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.764 -4.563 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.186 -3.159 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.916 -3.576 -1.987 1.00 0.00 H new ATOM 678 N GLU A 49 4.619 -4.667 2.489 1.00 0.00 N ATOM 679 CA GLU A 49 4.284 -5.465 3.663 1.00 0.00 C ATOM 680 C GLU A 49 2.962 -6.200 3.462 1.00 0.00 C ATOM 681 O GLU A 49 1.890 -5.599 3.519 1.00 0.00 O ATOM 682 CB GLU A 49 4.202 -4.575 4.905 1.00 0.00 C ATOM 683 CG GLU A 49 5.551 -4.303 5.550 1.00 0.00 C ATOM 684 CD GLU A 49 5.985 -5.416 6.484 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.379 -5.553 7.567 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.932 -6.150 6.131 1.00 0.00 O ATOM 0 H GLU A 49 4.010 -3.863 2.338 1.00 0.00 H new ATOM 0 HA GLU A 49 5.072 -6.204 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.742 -3.626 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.547 -5.047 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.303 -4.173 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.502 -3.366 6.105 1.00 0.00 H new ATOM 693 N GLY A 50 3.048 -7.505 3.226 1.00 0.00 N ATOM 694 CA GLY A 50 1.852 -8.302 3.019 1.00 0.00 C ATOM 695 C GLY A 50 1.879 -9.601 3.799 1.00 0.00 C ATOM 696 O GLY A 50 2.687 -9.787 4.709 1.00 0.00 O ATOM 0 H GLY A 50 3.924 -8.025 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.977 -7.723 3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.745 -8.522 1.957 1.00 0.00 H new ATOM 700 N PRO A 51 0.977 -10.528 3.442 1.00 0.00 N ATOM 701 CA PRO A 51 0.880 -11.833 4.104 1.00 0.00 C ATOM 702 C PRO A 51 2.072 -12.731 3.792 1.00 0.00 C ATOM 703 O PRO A 51 2.158 -13.857 4.283 1.00 0.00 O ATOM 704 CB PRO A 51 -0.405 -12.429 3.524 1.00 0.00 C ATOM 705 CG PRO A 51 -0.569 -11.763 2.202 1.00 0.00 C ATOM 706 CD PRO A 51 -0.016 -10.375 2.366 1.00 0.00 C ATOM 0 HA PRO A 51 0.871 -11.740 5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.326 -13.511 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.259 -12.236 4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.035 -12.306 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.618 -11.733 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.442 -10.014 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.795 -9.662 2.636 1.00 0.00 H new ATOM 714 N SER A 52 2.990 -12.226 2.974 1.00 0.00 N ATOM 715 CA SER A 52 4.176 -12.985 2.595 1.00 0.00 C ATOM 716 C SER A 52 5.235 -12.070 1.988 1.00 0.00 C ATOM 717 O SER A 52 5.021 -10.867 1.837 1.00 0.00 O ATOM 718 CB SER A 52 3.806 -14.086 1.599 1.00 0.00 C ATOM 719 OG SER A 52 4.680 -15.195 1.718 1.00 0.00 O ATOM 0 H SER A 52 2.935 -11.295 2.561 1.00 0.00 H new ATOM 0 HA SER A 52 4.588 -13.442 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.779 -14.408 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.849 -13.692 0.584 1.00 0.00 H new ATOM 0 HG SER A 52 4.422 -15.886 1.072 1.00 0.00 H new ATOM 725 N LYS A 53 6.380 -12.649 1.642 1.00 0.00 N ATOM 726 CA LYS A 53 7.474 -11.888 1.050 1.00 0.00 C ATOM 727 C LYS A 53 7.321 -11.804 -0.465 1.00 0.00 C ATOM 728 O LYS A 53 6.908 -12.767 -1.112 1.00 0.00 O ATOM 729 CB LYS A 53 8.818 -12.530 1.403 1.00 0.00 C ATOM 730 CG LYS A 53 9.985 -11.558 1.365 1.00 0.00 C ATOM 731 CD LYS A 53 11.174 -12.084 2.151 1.00 0.00 C ATOM 732 CE LYS A 53 11.899 -13.187 1.395 1.00 0.00 C ATOM 733 NZ LYS A 53 12.642 -12.656 0.218 1.00 0.00 N ATOM 0 H LYS A 53 6.574 -13.643 1.761 1.00 0.00 H new ATOM 0 HA LYS A 53 7.443 -10.877 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.752 -12.967 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.014 -13.347 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.280 -11.383 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.673 -10.597 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.866 -11.267 2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.835 -12.464 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.594 -13.691 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.178 -13.934 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.305 -13.378 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.969 -12.413 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.171 -11.805 0.497 1.00 0.00 H new ATOM 747 N VAL A 54 7.659 -10.647 -1.026 1.00 0.00 N ATOM 748 CA VAL A 54 7.561 -10.438 -2.466 1.00 0.00 C ATOM 749 C VAL A 54 8.784 -9.699 -2.998 1.00 0.00 C ATOM 750 O VAL A 54 9.019 -8.541 -2.656 1.00 0.00 O ATOM 751 CB VAL A 54 6.294 -9.643 -2.833 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.106 -10.579 -2.999 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.006 -8.584 -1.780 1.00 0.00 C ATOM 0 H VAL A 54 8.003 -9.840 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 54 7.507 -11.425 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 54 6.465 -9.139 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.220 -10.000 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.316 -11.296 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.930 -11.113 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.107 -8.032 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.855 -9.064 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.849 -7.896 -1.716 1.00 0.00 H new ATOM 763 N ASP A 55 9.559 -10.377 -3.837 1.00 0.00 N ATOM 764 CA ASP A 55 10.758 -9.785 -4.419 1.00 0.00 C ATOM 765 C ASP A 55 10.430 -8.468 -5.115 1.00 0.00 C ATOM 766 O ASP A 55 9.368 -8.323 -5.722 1.00 0.00 O ATOM 767 CB ASP A 55 11.402 -10.754 -5.411 1.00 0.00 C ATOM 768 CG ASP A 55 11.958 -11.992 -4.734 1.00 0.00 C ATOM 769 OD1 ASP A 55 11.272 -12.540 -3.846 1.00 0.00 O ATOM 770 OD2 ASP A 55 13.079 -12.411 -5.091 1.00 0.00 O ATOM 0 H ASP A 55 9.378 -11.337 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 55 11.462 -9.584 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.663 -11.051 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.204 -10.244 -5.944 1.00 0.00 H new ATOM 775 N ILE A 56 11.347 -7.511 -5.023 1.00 0.00 N ATOM 776 CA ILE A 56 11.155 -6.207 -5.644 1.00 0.00 C ATOM 777 C ILE A 56 12.286 -5.889 -6.617 1.00 0.00 C ATOM 778 O ILE A 56 13.454 -5.840 -6.230 1.00 0.00 O ATOM 779 CB ILE A 56 11.071 -5.088 -4.589 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.972 -5.399 -3.571 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.814 -3.746 -5.260 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.719 -4.274 -2.592 1.00 0.00 C ATOM 0 H ILE A 56 12.231 -7.615 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 56 10.212 -6.253 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 56 12.024 -5.033 -4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.047 -5.621 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.245 -6.297 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.757 -2.965 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.627 -3.523 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.873 -3.788 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.928 -4.564 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.631 -4.066 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.415 -3.380 -3.136 1.00 0.00 H new ATOM 794 N GLN A 57 11.931 -5.672 -7.879 1.00 0.00 N ATOM 795 CA GLN A 57 12.916 -5.358 -8.906 1.00 0.00 C ATOM 796 C GLN A 57 12.789 -3.906 -9.357 1.00 0.00 C ATOM 797 O GLN A 57 11.726 -3.474 -9.803 1.00 0.00 O ATOM 798 CB GLN A 57 12.750 -6.293 -10.106 1.00 0.00 C ATOM 799 CG GLN A 57 13.300 -7.690 -9.869 1.00 0.00 C ATOM 800 CD GLN A 57 13.811 -8.339 -11.140 1.00 0.00 C ATOM 801 OE1 GLN A 57 14.358 -7.669 -12.016 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.636 -9.651 -11.246 1.00 0.00 N ATOM 0 H GLN A 57 10.968 -5.708 -8.215 1.00 0.00 H new ATOM 0 HA GLN A 57 13.908 -5.501 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.691 -6.366 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.252 -5.856 -10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.109 -7.639 -9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.520 -8.315 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.177 -10.167 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.960 -10.143 -12.078 1.00 0.00 H new ATOM 811 N THR A 58 13.880 -3.157 -9.237 1.00 0.00 N ATOM 812 CA THR A 58 13.891 -1.753 -9.630 1.00 0.00 C ATOM 813 C THR A 58 14.839 -1.517 -10.800 1.00 0.00 C ATOM 814 O THR A 58 15.748 -2.310 -11.043 1.00 0.00 O ATOM 815 CB THR A 58 14.304 -0.844 -8.457 1.00 0.00 C ATOM 816 OG1 THR A 58 15.618 -1.194 -8.006 1.00 0.00 O ATOM 817 CG2 THR A 58 13.318 -0.965 -7.305 1.00 0.00 C ATOM 0 H THR A 58 14.768 -3.499 -8.871 1.00 0.00 H new ATOM 0 HA THR A 58 12.875 -1.502 -9.933 1.00 0.00 H new ATOM 0 HB THR A 58 14.303 0.188 -8.808 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.874 -0.611 -7.261 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.631 -0.314 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.325 -0.671 -7.644 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.291 -1.997 -6.956 1.00 0.00 H new ATOM 825 N GLU A 59 14.621 -0.421 -11.520 1.00 0.00 N ATOM 826 CA GLU A 59 15.458 -0.082 -12.665 1.00 0.00 C ATOM 827 C GLU A 59 15.328 1.398 -13.014 1.00 0.00 C ATOM 828 O GLU A 59 14.369 2.060 -12.614 1.00 0.00 O ATOM 829 CB GLU A 59 15.077 -0.937 -13.875 1.00 0.00 C ATOM 830 CG GLU A 59 15.928 -0.667 -15.104 1.00 0.00 C ATOM 831 CD GLU A 59 15.922 -1.824 -16.084 1.00 0.00 C ATOM 832 OE1 GLU A 59 14.831 -2.372 -16.348 1.00 0.00 O ATOM 833 OE2 GLU A 59 17.007 -2.182 -16.587 1.00 0.00 O ATOM 0 H GLU A 59 13.873 0.246 -11.331 1.00 0.00 H new ATOM 0 HA GLU A 59 16.495 -0.286 -12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.165 -1.990 -13.607 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.031 -0.757 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.563 0.230 -15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.953 -0.464 -14.794 1.00 0.00 H new ATOM 840 N ASP A 60 16.298 1.911 -13.762 1.00 0.00 N ATOM 841 CA ASP A 60 16.293 3.312 -14.166 1.00 0.00 C ATOM 842 C ASP A 60 15.986 3.448 -15.654 1.00 0.00 C ATOM 843 O ASP A 60 16.758 2.998 -16.502 1.00 0.00 O ATOM 844 CB ASP A 60 17.642 3.961 -13.851 1.00 0.00 C ATOM 845 CG ASP A 60 17.980 5.087 -14.807 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.061 5.845 -15.181 1.00 0.00 O ATOM 847 OD2 ASP A 60 19.165 5.211 -15.181 1.00 0.00 O ATOM 0 H ASP A 60 17.098 1.377 -14.101 1.00 0.00 H new ATOM 0 HA ASP A 60 15.512 3.823 -13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.627 4.346 -12.831 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.425 3.204 -13.895 1.00 0.00 H new ATOM 852 N LEU A 61 14.853 4.069 -15.965 1.00 0.00 N ATOM 853 CA LEU A 61 14.443 4.263 -17.351 1.00 0.00 C ATOM 854 C LEU A 61 15.031 5.551 -17.918 1.00 0.00 C ATOM 855 O LEU A 61 15.788 6.248 -17.244 1.00 0.00 O ATOM 856 CB LEU A 61 12.917 4.298 -17.451 1.00 0.00 C ATOM 857 CG LEU A 61 12.180 3.073 -16.909 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.701 3.378 -16.725 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.369 1.883 -17.838 1.00 0.00 C ATOM 0 H LEU A 61 14.202 4.446 -15.276 1.00 0.00 H new ATOM 0 HA LEU A 61 14.821 3.425 -17.937 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.558 5.178 -16.918 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.645 4.427 -18.498 1.00 0.00 H new ATOM 0 HG LEU A 61 12.602 2.820 -15.936 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.193 2.495 -16.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.584 4.201 -16.020 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.265 3.657 -17.684 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.838 1.020 -17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.974 2.125 -18.825 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.431 1.650 -17.919 1.00 0.00 H new ATOM 871 N GLU A 62 14.675 5.861 -19.161 1.00 0.00 N ATOM 872 CA GLU A 62 15.167 7.067 -19.817 1.00 0.00 C ATOM 873 C GLU A 62 14.311 8.275 -19.449 1.00 0.00 C ATOM 874 O GLU A 62 14.792 9.408 -19.434 1.00 0.00 O ATOM 875 CB GLU A 62 15.177 6.879 -21.336 1.00 0.00 C ATOM 876 CG GLU A 62 13.790 6.861 -21.956 1.00 0.00 C ATOM 877 CD GLU A 62 13.288 8.249 -22.302 1.00 0.00 C ATOM 878 OE1 GLU A 62 14.127 9.147 -22.523 1.00 0.00 O ATOM 879 OE2 GLU A 62 12.054 8.438 -22.352 1.00 0.00 O ATOM 0 H GLU A 62 14.049 5.295 -19.733 1.00 0.00 H new ATOM 0 HA GLU A 62 16.185 7.247 -19.473 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.758 7.682 -21.789 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.685 5.944 -21.575 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.807 6.250 -22.858 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.093 6.389 -21.264 1.00 0.00 H new ATOM 886 N ASP A 63 13.040 8.024 -19.153 1.00 0.00 N ATOM 887 CA ASP A 63 12.116 9.091 -18.784 1.00 0.00 C ATOM 888 C ASP A 63 12.509 9.711 -17.447 1.00 0.00 C ATOM 889 O ASP A 63 12.080 10.815 -17.114 1.00 0.00 O ATOM 890 CB ASP A 63 10.687 8.553 -18.711 1.00 0.00 C ATOM 891 CG ASP A 63 10.342 7.661 -19.888 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.831 6.512 -19.924 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.585 8.112 -20.773 1.00 0.00 O ATOM 0 H ASP A 63 12.626 7.092 -19.161 1.00 0.00 H new ATOM 0 HA ASP A 63 12.166 9.864 -19.551 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.560 7.992 -17.785 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.989 9.389 -18.676 1.00 0.00 H new ATOM 898 N GLY A 64 13.327 8.992 -16.684 1.00 0.00 N ATOM 899 CA GLY A 64 13.762 9.488 -15.391 1.00 0.00 C ATOM 900 C GLY A 64 12.857 9.036 -14.262 1.00 0.00 C ATOM 901 O GLY A 64 12.797 9.674 -13.211 1.00 0.00 O ATOM 0 H GLY A 64 13.696 8.076 -16.938 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.778 9.145 -15.197 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.792 10.577 -15.415 1.00 0.00 H new ATOM 905 N THR A 65 12.149 7.932 -14.479 1.00 0.00 N ATOM 906 CA THR A 65 11.241 7.397 -13.473 1.00 0.00 C ATOM 907 C THR A 65 11.716 6.038 -12.970 1.00 0.00 C ATOM 908 O THR A 65 12.658 5.459 -13.513 1.00 0.00 O ATOM 909 CB THR A 65 9.810 7.255 -14.026 1.00 0.00 C ATOM 910 OG1 THR A 65 9.791 6.307 -15.099 1.00 0.00 O ATOM 911 CG2 THR A 65 9.285 8.596 -14.517 1.00 0.00 C ATOM 0 H THR A 65 12.187 7.391 -15.343 1.00 0.00 H new ATOM 0 HA THR A 65 11.234 8.106 -12.645 1.00 0.00 H new ATOM 0 HB THR A 65 9.166 6.903 -13.220 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.878 6.221 -15.444 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.273 8.471 -14.903 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.273 9.307 -13.691 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.932 8.972 -15.310 1.00 0.00 H new ATOM 919 N CYS A 66 11.058 5.534 -11.932 1.00 0.00 N ATOM 920 CA CYS A 66 11.414 4.242 -11.356 1.00 0.00 C ATOM 921 C CYS A 66 10.271 3.245 -11.510 1.00 0.00 C ATOM 922 O CYS A 66 9.183 3.442 -10.968 1.00 0.00 O ATOM 923 CB CYS A 66 11.773 4.401 -9.878 1.00 0.00 C ATOM 924 SG CYS A 66 13.508 4.813 -9.579 1.00 0.00 S ATOM 0 H CYS A 66 10.276 6.000 -11.472 1.00 0.00 H new ATOM 0 HA CYS A 66 12.281 3.858 -11.894 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.146 5.180 -9.445 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.536 3.474 -9.356 1.00 0.00 H new ATOM 0 HG CYS A 66 13.818 4.520 -8.351 1.00 0.00 H new ATOM 930 N LYS A 67 10.523 2.173 -12.254 1.00 0.00 N ATOM 931 CA LYS A 67 9.516 1.144 -12.481 1.00 0.00 C ATOM 932 C LYS A 67 9.697 -0.019 -11.510 1.00 0.00 C ATOM 933 O LYS A 67 10.561 -0.874 -11.704 1.00 0.00 O ATOM 934 CB LYS A 67 9.593 0.635 -13.922 1.00 0.00 C ATOM 935 CG LYS A 67 8.451 -0.292 -14.301 1.00 0.00 C ATOM 936 CD LYS A 67 8.448 -0.593 -15.791 1.00 0.00 C ATOM 937 CE LYS A 67 9.491 -1.640 -16.151 1.00 0.00 C ATOM 938 NZ LYS A 67 9.427 -2.014 -17.591 1.00 0.00 N ATOM 0 H LYS A 67 11.418 1.995 -12.710 1.00 0.00 H new ATOM 0 HA LYS A 67 8.535 1.588 -12.310 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.598 1.488 -14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.538 0.110 -14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.536 -1.223 -13.741 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.502 0.164 -14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.460 -0.944 -16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.643 0.323 -16.349 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.485 -1.257 -15.919 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.340 -2.529 -15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.153 -2.729 -17.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.487 -2.403 -17.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.596 -1.171 -18.176 1.00 0.00 H new ATOM 952 N VAL A 68 8.876 -0.044 -10.464 1.00 0.00 N ATOM 953 CA VAL A 68 8.944 -1.103 -9.465 1.00 0.00 C ATOM 954 C VAL A 68 8.228 -2.360 -9.945 1.00 0.00 C ATOM 955 O VAL A 68 7.193 -2.282 -10.607 1.00 0.00 O ATOM 956 CB VAL A 68 8.327 -0.653 -8.127 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.523 -1.721 -7.062 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.928 0.672 -7.683 1.00 0.00 C ATOM 0 H VAL A 68 8.157 0.657 -10.287 1.00 0.00 H new ATOM 0 HA VAL A 68 10.000 -1.326 -9.313 1.00 0.00 H new ATOM 0 HB VAL A 68 7.256 -0.510 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.081 -1.385 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.041 -2.645 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.589 -1.899 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.481 0.975 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.005 0.559 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.730 1.433 -8.438 1.00 0.00 H new ATOM 968 N SER A 69 8.785 -3.518 -9.607 1.00 0.00 N ATOM 969 CA SER A 69 8.200 -4.793 -10.007 1.00 0.00 C ATOM 970 C SER A 69 8.222 -5.787 -8.849 1.00 0.00 C ATOM 971 O SER A 69 9.193 -5.860 -8.096 1.00 0.00 O ATOM 972 CB SER A 69 8.956 -5.371 -11.205 1.00 0.00 C ATOM 973 OG SER A 69 10.291 -4.898 -11.242 1.00 0.00 O ATOM 0 H SER A 69 9.640 -3.600 -9.057 1.00 0.00 H new ATOM 0 HA SER A 69 7.163 -4.616 -10.292 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.954 -6.460 -11.149 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.444 -5.098 -12.128 1.00 0.00 H new ATOM 0 HG SER A 69 10.605 -4.732 -10.329 1.00 0.00 H new ATOM 979 N TYR A 70 7.144 -6.551 -8.715 1.00 0.00 N ATOM 980 CA TYR A 70 7.036 -7.540 -7.648 1.00 0.00 C ATOM 981 C TYR A 70 6.166 -8.716 -8.081 1.00 0.00 C ATOM 982 O TYR A 70 5.284 -8.572 -8.928 1.00 0.00 O ATOM 983 CB TYR A 70 6.456 -6.899 -6.386 1.00 0.00 C ATOM 984 CG TYR A 70 4.963 -6.671 -6.455 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.070 -7.706 -6.206 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.444 -5.421 -6.767 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.705 -7.503 -6.268 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.081 -5.208 -6.830 1.00 0.00 C ATOM 989 CZ TYR A 70 2.215 -6.252 -6.580 1.00 0.00 C ATOM 990 OH TYR A 70 0.856 -6.045 -6.642 1.00 0.00 O ATOM 0 H TYR A 70 6.333 -6.505 -9.331 1.00 0.00 H new ATOM 0 HA TYR A 70 8.037 -7.913 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.679 -7.536 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.953 -5.945 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.450 -8.687 -5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.119 -4.601 -6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.025 -8.319 -6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.695 -4.229 -7.074 1.00 0.00 H new ATOM 0 HH TYR A 70 0.678 -5.109 -6.873 1.00 0.00 H new ATOM 1000 N PHE A 71 6.420 -9.880 -7.493 1.00 0.00 N ATOM 1001 CA PHE A 71 5.661 -11.082 -7.817 1.00 0.00 C ATOM 1002 C PHE A 71 5.016 -11.671 -6.566 1.00 0.00 C ATOM 1003 O PHE A 71 5.663 -12.334 -5.756 1.00 0.00 O ATOM 1004 CB PHE A 71 6.570 -12.123 -8.474 1.00 0.00 C ATOM 1005 CG PHE A 71 5.831 -13.105 -9.336 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.350 -12.730 -10.581 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.617 -14.404 -8.904 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.669 -13.632 -11.376 1.00 0.00 C ATOM 1009 CE2 PHE A 71 4.937 -15.311 -9.695 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.463 -14.924 -10.933 1.00 0.00 C ATOM 0 H PHE A 71 7.146 -10.016 -6.789 1.00 0.00 H new ATOM 0 HA PHE A 71 4.872 -10.806 -8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.317 -11.610 -9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.108 -12.666 -7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.509 -11.722 -10.933 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.986 -14.712 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.298 -13.327 -12.343 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.777 -16.320 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.932 -15.630 -11.554 1.00 0.00 H new ATOM 1020 N PRO A 72 3.707 -11.424 -6.404 1.00 0.00 N ATOM 1021 CA PRO A 72 2.944 -11.920 -5.255 1.00 0.00 C ATOM 1022 C PRO A 72 2.754 -13.433 -5.295 1.00 0.00 C ATOM 1023 O PRO A 72 2.657 -14.029 -6.368 1.00 0.00 O ATOM 1024 CB PRO A 72 1.596 -11.208 -5.390 1.00 0.00 C ATOM 1025 CG PRO A 72 1.473 -10.901 -6.843 1.00 0.00 C ATOM 1026 CD PRO A 72 2.872 -10.642 -7.331 1.00 0.00 C ATOM 0 HA PRO A 72 3.453 -11.722 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.778 -11.842 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.567 -10.299 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.020 -11.734 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.836 -10.032 -7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.004 -10.967 -8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.119 -9.581 -7.297 1.00 0.00 H new ATOM 1034 N THR A 73 2.700 -14.049 -4.119 1.00 0.00 N ATOM 1035 CA THR A 73 2.522 -15.492 -4.019 1.00 0.00 C ATOM 1036 C THR A 73 1.312 -15.839 -3.160 1.00 0.00 C ATOM 1037 O THR A 73 0.699 -16.893 -3.328 1.00 0.00 O ATOM 1038 CB THR A 73 3.770 -16.173 -3.427 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.101 -15.579 -2.167 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.953 -16.054 -4.376 1.00 0.00 C ATOM 0 H THR A 73 2.777 -13.571 -3.221 1.00 0.00 H new ATOM 0 HA THR A 73 2.362 -15.861 -5.032 1.00 0.00 H new ATOM 0 HB THR A 73 3.546 -17.230 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.895 -16.019 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.823 -16.542 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.709 -16.533 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.177 -15.001 -4.549 1.00 0.00 H new ATOM 1048 N VAL A 74 0.971 -14.944 -2.237 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.168 -15.155 -1.352 1.00 0.00 C ATOM 1050 C VAL A 74 -1.152 -13.994 -1.437 1.00 0.00 C ATOM 1051 O VAL A 74 -0.778 -12.824 -1.363 1.00 0.00 O ATOM 1052 CB VAL A 74 0.283 -15.326 0.111 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.923 -15.450 1.030 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.196 -16.534 0.250 1.00 0.00 C ATOM 0 H VAL A 74 1.468 -14.066 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.661 -16.070 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 74 0.845 -14.440 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.585 -15.570 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.534 -14.551 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.515 -16.318 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.505 -16.639 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.662 -17.431 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.077 -16.399 -0.378 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.443 -14.323 -1.596 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.509 -13.322 -1.693 1.00 0.00 C ATOM 1066 C PRO A 75 -3.753 -12.604 -0.370 1.00 0.00 C ATOM 1067 O PRO A 75 -3.723 -13.219 0.695 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.736 -14.148 -2.089 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.450 -15.519 -1.581 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.961 -15.699 -1.692 1.00 0.00 C ATOM 0 HA PRO A 75 -3.263 -12.532 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.646 -13.743 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.881 -14.148 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.781 -15.629 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.979 -16.271 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.572 -16.331 -0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.682 -16.169 -2.635 1.00 0.00 H new ATOM 1078 N GLY A 76 -3.997 -11.299 -0.446 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.243 -10.520 0.753 1.00 0.00 C ATOM 1080 C GLY A 76 -4.072 -9.032 0.522 1.00 0.00 C ATOM 1081 O GLY A 76 -4.430 -8.515 -0.537 1.00 0.00 O ATOM 0 H GLY A 76 -4.029 -10.768 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.255 -10.716 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.561 -10.843 1.539 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.526 -8.339 1.516 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.309 -6.901 1.417 1.00 0.00 C ATOM 1087 C VAL A 77 -1.829 -6.558 1.551 1.00 0.00 C ATOM 1088 O VAL A 77 -1.222 -6.780 2.598 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.101 -6.138 2.496 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.725 -4.664 2.492 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.596 -6.316 2.283 1.00 0.00 C ATOM 0 H VAL A 77 -3.226 -8.751 2.400 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.663 -6.595 0.433 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.844 -6.551 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.294 -4.141 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.659 -4.560 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.952 -4.233 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.141 -5.771 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.872 -5.930 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.848 -7.375 2.341 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.255 -6.014 0.484 1.00 0.00 N ATOM 1102 CA TYR A 78 0.154 -5.641 0.480 1.00 0.00 C ATOM 1103 C TYR A 78 0.319 -4.131 0.623 1.00 0.00 C ATOM 1104 O TYR A 78 -0.085 -3.366 -0.253 1.00 0.00 O ATOM 1105 CB TYR A 78 0.827 -6.119 -0.808 1.00 0.00 C ATOM 1106 CG TYR A 78 1.059 -7.612 -0.851 1.00 0.00 C ATOM 1107 CD1 TYR A 78 0.059 -8.478 -1.275 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.278 -8.158 -0.468 1.00 0.00 C ATOM 1109 CE1 TYR A 78 0.266 -9.844 -1.316 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.495 -9.521 -0.507 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.485 -10.360 -0.932 1.00 0.00 C ATOM 1112 OH TYR A 78 1.697 -11.719 -0.971 1.00 0.00 O ATOM 0 H TYR A 78 -1.744 -5.821 -0.390 1.00 0.00 H new ATOM 0 HA TYR A 78 0.633 -6.123 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.210 -5.831 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.783 -5.608 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.897 -8.077 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.070 -7.504 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.523 -10.503 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.449 -9.928 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 78 0.845 -12.179 -1.125 1.00 0.00 H new ATOM 1122 N ILE A 79 0.916 -3.710 1.733 1.00 0.00 N ATOM 1123 CA ILE A 79 1.136 -2.292 1.991 1.00 0.00 C ATOM 1124 C ILE A 79 2.409 -1.801 1.310 1.00 0.00 C ATOM 1125 O ILE A 79 3.517 -2.064 1.777 1.00 0.00 O ATOM 1126 CB ILE A 79 1.230 -2.003 3.501 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.027 -2.600 4.233 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.318 -0.504 3.748 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.262 -1.845 3.992 1.00 0.00 C ATOM 0 H ILE A 79 1.256 -4.330 2.468 1.00 0.00 H new ATOM 0 HA ILE A 79 0.278 -1.759 1.580 1.00 0.00 H new ATOM 0 HB ILE A 79 2.135 -2.470 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.103 -3.635 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.234 -2.617 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.384 -0.315 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.204 -0.105 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.429 -0.016 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.072 -2.324 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.150 -0.816 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.493 -1.850 2.927 1.00 0.00 H new ATOM 1141 N VAL A 80 2.242 -1.084 0.203 1.00 0.00 N ATOM 1142 CA VAL A 80 3.377 -0.553 -0.542 1.00 0.00 C ATOM 1143 C VAL A 80 3.767 0.831 -0.035 1.00 0.00 C ATOM 1144 O VAL A 80 3.098 1.822 -0.328 1.00 0.00 O ATOM 1145 CB VAL A 80 3.070 -0.468 -2.049 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.260 0.102 -2.805 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.688 -1.837 -2.592 1.00 0.00 C ATOM 0 H VAL A 80 1.332 -0.858 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 80 4.208 -1.242 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 80 2.224 0.204 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.025 0.154 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.482 1.102 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.127 -0.541 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.474 -1.759 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.513 -2.533 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.803 -2.201 -2.070 1.00 0.00 H new ATOM 1157 N SER A 81 4.855 0.892 0.726 1.00 0.00 N ATOM 1158 CA SER A 81 5.333 2.155 1.276 1.00 0.00 C ATOM 1159 C SER A 81 6.247 2.869 0.285 1.00 0.00 C ATOM 1160 O SER A 81 7.435 2.561 0.183 1.00 0.00 O ATOM 1161 CB SER A 81 6.078 1.913 2.591 1.00 0.00 C ATOM 1162 OG SER A 81 5.173 1.649 3.649 1.00 0.00 O ATOM 0 H SER A 81 5.422 0.082 0.976 1.00 0.00 H new ATOM 0 HA SER A 81 4.468 2.790 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.762 1.073 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.683 2.786 2.835 1.00 0.00 H new ATOM 0 HG SER A 81 5.674 1.496 4.477 1.00 0.00 H new ATOM 1168 N THR A 82 5.683 3.825 -0.447 1.00 0.00 N ATOM 1169 CA THR A 82 6.445 4.583 -1.432 1.00 0.00 C ATOM 1170 C THR A 82 6.886 5.929 -0.869 1.00 0.00 C ATOM 1171 O THR A 82 6.063 6.813 -0.630 1.00 0.00 O ATOM 1172 CB THR A 82 5.625 4.819 -2.715 1.00 0.00 C ATOM 1173 OG1 THR A 82 5.020 3.593 -3.142 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.507 5.370 -3.826 1.00 0.00 C ATOM 0 H THR A 82 4.701 4.093 -0.376 1.00 0.00 H new ATOM 0 HA THR A 82 7.326 3.989 -1.676 1.00 0.00 H new ATOM 0 HB THR A 82 4.847 5.550 -2.494 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.499 3.752 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.907 5.529 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.943 6.317 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.304 4.659 -4.044 1.00 0.00 H new ATOM 1182 N LYS A 83 8.189 6.079 -0.660 1.00 0.00 N ATOM 1183 CA LYS A 83 8.741 7.319 -0.127 1.00 0.00 C ATOM 1184 C LYS A 83 9.723 7.945 -1.112 1.00 0.00 C ATOM 1185 O LYS A 83 10.379 7.243 -1.881 1.00 0.00 O ATOM 1186 CB LYS A 83 9.439 7.057 1.210 1.00 0.00 C ATOM 1187 CG LYS A 83 8.506 7.120 2.406 1.00 0.00 C ATOM 1188 CD LYS A 83 9.254 7.481 3.679 1.00 0.00 C ATOM 1189 CE LYS A 83 9.760 6.240 4.399 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.127 5.856 3.948 1.00 0.00 N ATOM 0 H LYS A 83 8.883 5.357 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 83 7.918 8.016 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.909 6.074 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.237 7.788 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.725 7.857 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.012 6.157 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.095 8.131 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.597 8.045 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.770 6.422 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.073 5.412 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.225 4.821 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.277 6.188 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.834 6.291 4.574 1.00 0.00 H new ATOM 1204 N PHE A 84 9.820 9.270 -1.082 1.00 0.00 N ATOM 1205 CA PHE A 84 10.722 9.991 -1.972 1.00 0.00 C ATOM 1206 C PHE A 84 11.286 11.233 -1.286 1.00 0.00 C ATOM 1207 O PHE A 84 10.586 12.230 -1.111 1.00 0.00 O ATOM 1208 CB PHE A 84 9.994 10.391 -3.257 1.00 0.00 C ATOM 1209 CG PHE A 84 10.740 11.403 -4.079 1.00 0.00 C ATOM 1210 CD1 PHE A 84 10.599 12.758 -3.828 1.00 0.00 C ATOM 1211 CD2 PHE A 84 11.584 10.999 -5.101 1.00 0.00 C ATOM 1212 CE1 PHE A 84 11.283 13.691 -4.584 1.00 0.00 C ATOM 1213 CE2 PHE A 84 12.271 11.927 -5.859 1.00 0.00 C ATOM 1214 CZ PHE A 84 12.122 13.275 -5.600 1.00 0.00 C ATOM 0 H PHE A 84 9.285 9.866 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 84 11.550 9.328 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.823 9.500 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.015 10.795 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.947 13.089 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 84 11.706 9.946 -5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 84 11.162 14.745 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 84 12.924 11.598 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.660 14.002 -6.190 1.00 0.00 H new ATOM 1224 N ALA A 85 12.555 11.162 -0.899 1.00 0.00 N ATOM 1225 CA ALA A 85 13.214 12.280 -0.234 1.00 0.00 C ATOM 1226 C ALA A 85 12.654 12.491 1.168 1.00 0.00 C ATOM 1227 O ALA A 85 12.322 13.613 1.551 1.00 0.00 O ATOM 1228 CB ALA A 85 13.065 13.548 -1.061 1.00 0.00 C ATOM 0 H ALA A 85 13.147 10.343 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 85 14.274 12.043 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.562 14.374 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.519 13.399 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.007 13.780 -1.183 1.00 0.00 H new ATOM 1234 N ASP A 86 12.551 11.407 1.929 1.00 0.00 N ATOM 1235 CA ASP A 86 12.031 11.474 3.289 1.00 0.00 C ATOM 1236 C ASP A 86 10.614 12.037 3.302 1.00 0.00 C ATOM 1237 O ASP A 86 10.269 12.857 4.153 1.00 0.00 O ATOM 1238 CB ASP A 86 12.943 12.336 4.165 1.00 0.00 C ATOM 1239 CG ASP A 86 14.349 11.776 4.262 1.00 0.00 C ATOM 1240 OD1 ASP A 86 14.490 10.540 4.374 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.308 12.575 4.225 1.00 0.00 O ATOM 0 H ASP A 86 12.821 10.471 1.627 1.00 0.00 H new ATOM 0 HA ASP A 86 12.004 10.461 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.984 13.346 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.516 12.413 5.165 1.00 0.00 H new ATOM 1246 N GLU A 87 9.796 11.591 2.353 1.00 0.00 N ATOM 1247 CA GLU A 87 8.417 12.053 2.255 1.00 0.00 C ATOM 1248 C GLU A 87 7.555 11.038 1.510 1.00 0.00 C ATOM 1249 O GLU A 87 7.865 10.654 0.381 1.00 0.00 O ATOM 1250 CB GLU A 87 8.358 13.407 1.546 1.00 0.00 C ATOM 1251 CG GLU A 87 8.614 14.588 2.466 1.00 0.00 C ATOM 1252 CD GLU A 87 8.203 15.910 1.847 1.00 0.00 C ATOM 1253 OE1 GLU A 87 8.803 16.296 0.822 1.00 0.00 O ATOM 1254 OE2 GLU A 87 7.283 16.559 2.387 1.00 0.00 O ATOM 0 H GLU A 87 10.065 10.911 1.642 1.00 0.00 H new ATOM 0 HA GLU A 87 8.025 12.164 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.093 13.418 0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.378 13.523 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.068 14.442 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.674 14.624 2.719 1.00 0.00 H new ATOM 1261 N HIS A 88 6.473 10.606 2.149 1.00 0.00 N ATOM 1262 CA HIS A 88 5.565 9.635 1.547 1.00 0.00 C ATOM 1263 C HIS A 88 4.704 10.290 0.472 1.00 0.00 C ATOM 1264 O HIS A 88 4.120 11.352 0.691 1.00 0.00 O ATOM 1265 CB HIS A 88 4.674 9.006 2.618 1.00 0.00 C ATOM 1266 CG HIS A 88 5.251 7.764 3.224 1.00 0.00 C ATOM 1267 ND1 HIS A 88 6.167 7.602 4.207 1.00 0.00 N flip ATOM 1268 CD2 HIS A 88 4.893 6.495 2.823 1.00 0.00 C flip ATOM 1269 CE1 HIS A 88 6.344 6.251 4.380 1.00 0.00 C flip ATOM 1270 NE2 HIS A 88 5.563 5.605 3.533 1.00 0.00 N flip ATOM 0 H HIS A 88 6.203 10.913 3.084 1.00 0.00 H new ATOM 0 HA HIS A 88 6.165 8.854 1.080 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.497 9.737 3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.705 8.770 2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.176 6.264 2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.013 5.792 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 88 5.490 4.592 3.443 1.00 0.00 H new ATOM 1279 N VAL A 89 4.630 9.651 -0.691 1.00 0.00 N ATOM 1280 CA VAL A 89 3.839 10.171 -1.801 1.00 0.00 C ATOM 1281 C VAL A 89 2.455 10.605 -1.333 1.00 0.00 C ATOM 1282 O VAL A 89 1.941 10.138 -0.316 1.00 0.00 O ATOM 1283 CB VAL A 89 3.687 9.125 -2.921 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.959 9.043 -3.751 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.334 7.766 -2.335 1.00 0.00 C ATOM 0 H VAL A 89 5.108 8.772 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 89 4.374 11.036 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 89 2.873 9.435 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.833 8.299 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.164 10.015 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.793 8.757 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.230 7.038 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.125 7.446 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.394 7.839 -1.788 1.00 0.00 H new ATOM 1295 N PRO A 90 1.833 11.519 -2.092 1.00 0.00 N ATOM 1296 CA PRO A 90 0.498 12.036 -1.776 1.00 0.00 C ATOM 1297 C PRO A 90 -0.591 10.987 -1.976 1.00 0.00 C ATOM 1298 O PRO A 90 -1.170 10.877 -3.056 1.00 0.00 O ATOM 1299 CB PRO A 90 0.319 13.188 -2.768 1.00 0.00 C ATOM 1300 CG PRO A 90 1.210 12.844 -3.912 1.00 0.00 C ATOM 1301 CD PRO A 90 2.386 12.120 -3.318 1.00 0.00 C ATOM 0 HA PRO A 90 0.414 12.338 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.719 13.278 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.598 14.142 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.691 12.216 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.531 13.742 -4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.776 11.361 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.207 12.801 -3.096 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.866 10.219 -0.926 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.885 9.189 -1.007 1.00 0.00 C ATOM 1311 C GLY A 91 -1.422 7.867 -0.428 1.00 0.00 C ATOM 1312 O GLY A 91 -2.115 6.856 -0.539 1.00 0.00 O ATOM 0 H GLY A 91 -0.401 10.292 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.777 9.522 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.170 9.046 -2.049 1.00 0.00 H new ATOM 1316 N SER A 92 -0.245 7.874 0.189 1.00 0.00 N ATOM 1317 CA SER A 92 0.314 6.664 0.783 1.00 0.00 C ATOM 1318 C SER A 92 -0.177 6.486 2.216 1.00 0.00 C ATOM 1319 O SER A 92 -0.662 7.421 2.854 1.00 0.00 O ATOM 1320 CB SER A 92 1.842 6.717 0.758 1.00 0.00 C ATOM 1321 OG SER A 92 2.356 6.080 -0.399 1.00 0.00 O ATOM 0 H SER A 92 0.340 8.703 0.291 1.00 0.00 H new ATOM 0 HA SER A 92 -0.022 5.811 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.173 7.755 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.240 6.234 1.650 1.00 0.00 H new ATOM 0 HG SER A 92 1.651 6.015 -1.077 1.00 0.00 H new ATOM 1327 N PRO A 93 -0.048 5.257 2.736 1.00 0.00 N ATOM 1328 CA PRO A 93 0.527 4.136 1.987 1.00 0.00 C ATOM 1329 C PRO A 93 -0.381 3.669 0.855 1.00 0.00 C ATOM 1330 O PRO A 93 -1.496 4.167 0.694 1.00 0.00 O ATOM 1331 CB PRO A 93 0.672 3.039 3.044 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.356 3.365 4.072 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.455 4.865 4.097 1.00 0.00 C ATOM 0 HA PRO A 93 1.466 4.408 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.504 2.051 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.674 3.033 3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.316 2.915 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.068 2.977 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.468 5.197 4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.200 5.298 4.853 1.00 0.00 H new ATOM 1341 N PHE A 94 0.102 2.709 0.072 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.668 2.175 -1.045 1.00 0.00 C ATOM 1343 C PHE A 94 -1.197 0.780 -0.724 1.00 0.00 C ATOM 1344 O PHE A 94 -0.429 -0.173 -0.587 1.00 0.00 O ATOM 1345 CB PHE A 94 0.195 2.126 -2.308 1.00 0.00 C ATOM 1346 CG PHE A 94 0.187 3.409 -3.089 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.310 4.629 -2.444 1.00 0.00 C ATOM 1348 CD2 PHE A 94 0.056 3.395 -4.469 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.304 5.811 -3.160 1.00 0.00 C ATOM 1350 CE2 PHE A 94 0.049 4.574 -5.190 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.172 5.784 -4.534 1.00 0.00 C ATOM 0 H PHE A 94 1.022 2.286 0.191 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.517 2.836 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.221 1.886 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.158 1.318 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.412 4.657 -1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.042 2.452 -4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.403 6.755 -2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.052 4.550 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.165 6.707 -5.095 1.00 0.00 H new ATOM 1361 N THR A 95 -2.517 0.668 -0.603 1.00 0.00 N ATOM 1362 CA THR A 95 -3.150 -0.608 -0.296 1.00 0.00 C ATOM 1363 C THR A 95 -3.531 -1.354 -1.569 1.00 0.00 C ATOM 1364 O THR A 95 -4.473 -0.974 -2.265 1.00 0.00 O ATOM 1365 CB THR A 95 -4.411 -0.415 0.569 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.077 0.284 1.773 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.040 -1.756 0.914 1.00 0.00 C ATOM 0 H THR A 95 -3.167 1.446 -0.713 1.00 0.00 H new ATOM 0 HA THR A 95 -2.421 -1.196 0.262 1.00 0.00 H new ATOM 0 HB THR A 95 -5.131 0.171 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.884 0.404 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.928 -1.595 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.320 -2.274 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.323 -2.362 1.468 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.793 -2.418 -1.869 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.054 -3.219 -3.059 1.00 0.00 C ATOM 1377 C VAL A 96 -3.719 -4.542 -2.696 1.00 0.00 C ATOM 1378 O VAL A 96 -3.078 -5.443 -2.155 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.758 -3.505 -3.839 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.050 -4.350 -5.070 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.071 -2.204 -4.227 1.00 0.00 C ATOM 0 H VAL A 96 -2.009 -2.745 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.727 -2.638 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.083 -4.067 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.122 -4.542 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.494 -5.297 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.743 -3.817 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.157 -2.425 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.738 -1.613 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.825 -1.640 -3.327 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.008 -4.652 -2.998 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.761 -5.866 -2.705 1.00 0.00 C ATOM 1393 C LYS A 97 -5.549 -6.914 -3.794 1.00 0.00 C ATOM 1394 O LYS A 97 -6.026 -6.759 -4.918 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.252 -5.547 -2.574 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.660 -5.112 -1.177 1.00 0.00 C ATOM 1397 CD LYS A 97 -7.193 -3.699 -0.874 1.00 0.00 C ATOM 1398 CE LYS A 97 -8.207 -2.665 -1.338 1.00 0.00 C ATOM 1399 NZ LYS A 97 -7.954 -2.229 -2.740 1.00 0.00 N ATOM 0 H LYS A 97 -5.553 -3.915 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.397 -6.270 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.510 -4.758 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.830 -6.428 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.744 -5.166 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.240 -5.800 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.027 -3.592 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.237 -3.518 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.211 -3.082 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.171 -1.799 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.272 -1.246 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.936 -2.291 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.477 -2.845 -3.395 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.832 -7.979 -3.451 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.560 -9.053 -4.399 1.00 0.00 C ATOM 1415 C ILE A 98 -5.636 -10.131 -4.332 1.00 0.00 C ATOM 1416 O ILE A 98 -6.032 -10.560 -3.248 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.185 -9.697 -4.139 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.073 -8.659 -4.296 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.962 -10.868 -5.086 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -1.971 -8.089 -5.694 1.00 0.00 C ATOM 0 H ILE A 98 -4.429 -8.121 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.560 -8.605 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.163 -10.072 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.245 -7.845 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.120 -9.116 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.986 -11.313 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.740 -11.615 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.000 -10.515 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.162 -7.360 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.768 -8.893 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.910 -7.603 -5.958 1.00 0.00 H new ATOM 1432 N SER A 99 -6.103 -10.567 -5.498 1.00 0.00 N ATOM 1433 CA SER A 99 -7.134 -11.594 -5.572 1.00 0.00 C ATOM 1434 C SER A 99 -6.519 -12.963 -5.849 1.00 0.00 C ATOM 1435 O SER A 99 -5.525 -13.076 -6.564 1.00 0.00 O ATOM 1436 CB SER A 99 -8.150 -11.249 -6.662 1.00 0.00 C ATOM 1437 OG SER A 99 -8.683 -9.950 -6.471 1.00 0.00 O ATOM 0 H SER A 99 -5.783 -10.224 -6.404 1.00 0.00 H new ATOM 0 HA SER A 99 -7.643 -11.632 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.673 -11.309 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.957 -11.981 -6.656 1.00 0.00 H new ATOM 0 HG SER A 99 -9.328 -9.753 -7.182 1.00 0.00 H new