USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 35:sc= 1.16 USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 38 TYR OH : rot 154:sc= 0.184 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 50 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.4) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2 X(o=-2,f=-2.1) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.572 F(o=-2.5,f=-0.57) USER MOD Single : A 69 SER OG : rot -53:sc= 0.645 USER MOD Single : A 70 THR OG1 : rot -140:sc= -1.07 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 118:sc= 0.691 USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.442 K(o=-0.44,f=-2!) USER MOD Single : A 79 MET CE :methyl -156:sc= -0.0881 (180deg=-0.573) USER MOD Single : A 82 GLN : amide:sc=-0.00904 X(o=-0.009,f=-0.17) USER MOD Single : A 83 SER OG : rot 16:sc= 0.997 USER MOD Single : A 89 SER OG : rot 12:sc= 0.344 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 155:sc= 1.58 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 16.173 -5.101 -3.558 1.00 0.00 N ATOM 86 CA GLU A 9 15.030 -5.794 -2.974 1.00 0.00 C ATOM 87 C GLU A 9 13.800 -4.891 -2.952 1.00 0.00 C ATOM 88 O GLU A 9 13.903 -3.679 -3.140 1.00 0.00 O ATOM 89 CB GLU A 9 15.359 -6.261 -1.555 1.00 0.00 C ATOM 90 CG GLU A 9 16.333 -7.426 -1.508 1.00 0.00 C ATOM 91 CD GLU A 9 15.859 -8.615 -2.322 1.00 0.00 C ATOM 92 OE1 GLU A 9 14.631 -8.784 -2.466 1.00 0.00 O ATOM 93 OE2 GLU A 9 16.719 -9.376 -2.814 1.00 0.00 O ATOM 0 HA GLU A 9 14.810 -6.664 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.778 -5.425 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.435 -6.550 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.304 -7.099 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.477 -7.733 -0.472 1.00 0.00 H new ATOM 100 N ALA A 10 12.637 -5.491 -2.721 1.00 0.00 N ATOM 101 CA ALA A 10 11.387 -4.743 -2.673 1.00 0.00 C ATOM 102 C ALA A 10 10.680 -4.940 -1.337 1.00 0.00 C ATOM 103 O ALA A 10 11.042 -5.804 -0.537 1.00 0.00 O ATOM 104 CB ALA A 10 10.478 -5.159 -3.820 1.00 0.00 C ATOM 0 H ALA A 10 12.535 -6.494 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 10 11.622 -3.684 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.548 -4.592 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.975 -4.960 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.258 -6.224 -3.742 1.00 0.00 H new ATOM 110 N PRO A 11 9.648 -4.121 -1.086 1.00 0.00 N ATOM 111 CA PRO A 11 8.869 -4.187 0.154 1.00 0.00 C ATOM 112 C PRO A 11 8.015 -5.448 0.236 1.00 0.00 C ATOM 113 O PRO A 11 7.441 -5.886 -0.761 1.00 0.00 O ATOM 114 CB PRO A 11 7.979 -2.943 0.081 1.00 0.00 C ATOM 115 CG PRO A 11 7.856 -2.651 -1.375 1.00 0.00 C ATOM 116 CD PRO A 11 9.161 -3.068 -1.993 1.00 0.00 C ATOM 0 HA PRO A 11 9.509 -4.219 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.004 -3.127 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.425 -2.105 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.023 -3.200 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.664 -1.592 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.023 -3.443 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.861 -2.235 -2.054 1.00 0.00 H new ATOM 124 N ARG A 12 7.935 -6.027 1.430 1.00 0.00 N ATOM 125 CA ARG A 12 7.152 -7.238 1.641 1.00 0.00 C ATOM 126 C ARG A 12 6.343 -7.144 2.931 1.00 0.00 C ATOM 127 O ARG A 12 6.503 -6.203 3.709 1.00 0.00 O ATOM 128 CB ARG A 12 8.069 -8.462 1.690 1.00 0.00 C ATOM 129 CG ARG A 12 9.040 -8.449 2.860 1.00 0.00 C ATOM 130 CD ARG A 12 9.956 -9.662 2.836 1.00 0.00 C ATOM 131 NE ARG A 12 11.127 -9.448 1.990 1.00 0.00 N ATOM 132 CZ ARG A 12 11.817 -10.434 1.427 1.00 0.00 C ATOM 133 NH1 ARG A 12 11.456 -11.695 1.620 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.871 -10.159 0.669 1.00 0.00 N ATOM 0 H ARG A 12 8.403 -5.677 2.266 1.00 0.00 H new ATOM 0 HA ARG A 12 6.460 -7.344 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.457 -9.362 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.635 -8.519 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.639 -7.539 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.483 -8.431 3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.280 -9.892 3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.401 -10.528 2.475 1.00 0.00 H new ATOM 0 HE ARG A 12 11.432 -8.489 1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.647 -11.910 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.988 -12.450 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.152 -9.190 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.400 -10.917 0.237 1.00 0.00 H new ATOM 148 N ASP A 13 5.473 -8.124 3.151 1.00 0.00 N ATOM 149 CA ASP A 13 4.638 -8.152 4.346 1.00 0.00 C ATOM 150 C ASP A 13 3.717 -6.937 4.395 1.00 0.00 C ATOM 151 O ASP A 13 3.568 -6.299 5.438 1.00 0.00 O ATOM 152 CB ASP A 13 5.510 -8.197 5.602 1.00 0.00 C ATOM 153 CG ASP A 13 6.173 -9.546 5.798 1.00 0.00 C ATOM 154 OD1 ASP A 13 5.462 -10.571 5.741 1.00 0.00 O ATOM 155 OD2 ASP A 13 7.404 -9.577 6.007 1.00 0.00 O ATOM 0 H ASP A 13 5.328 -8.910 2.517 1.00 0.00 H new ATOM 0 HA ASP A 13 4.022 -9.051 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.276 -7.425 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.898 -7.966 6.474 1.00 0.00 H new ATOM 160 N LEU A 14 3.102 -6.621 3.260 1.00 0.00 N ATOM 161 CA LEU A 14 2.196 -5.481 3.173 1.00 0.00 C ATOM 162 C LEU A 14 0.754 -5.913 3.415 1.00 0.00 C ATOM 163 O LEU A 14 0.117 -6.499 2.540 1.00 0.00 O ATOM 164 CB LEU A 14 2.318 -4.812 1.802 1.00 0.00 C ATOM 165 CG LEU A 14 1.207 -3.827 1.436 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.486 -2.459 2.039 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.062 -3.726 -0.076 1.00 0.00 C ATOM 0 H LEU A 14 3.214 -7.138 2.388 1.00 0.00 H new ATOM 0 HA LEU A 14 2.475 -4.765 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.272 -4.286 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.351 -5.592 1.041 1.00 0.00 H new ATOM 0 HG LEU A 14 0.268 -4.198 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.685 -1.772 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.539 -2.544 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.434 -2.080 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.267 -3.021 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.000 -3.379 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.815 -4.706 -0.484 1.00 0.00 H new ATOM 179 N GLU A 15 0.244 -5.616 4.606 1.00 0.00 N ATOM 180 CA GLU A 15 -1.124 -5.973 4.962 1.00 0.00 C ATOM 181 C GLU A 15 -1.857 -4.779 5.568 1.00 0.00 C ATOM 182 O GLU A 15 -1.250 -3.930 6.219 1.00 0.00 O ATOM 183 CB GLU A 15 -1.130 -7.143 5.947 1.00 0.00 C ATOM 184 CG GLU A 15 -2.524 -7.575 6.370 1.00 0.00 C ATOM 185 CD GLU A 15 -3.255 -8.336 5.281 1.00 0.00 C ATOM 186 OE1 GLU A 15 -2.623 -9.194 4.630 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.459 -8.073 5.080 1.00 0.00 O ATOM 0 H GLU A 15 0.758 -5.129 5.341 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.643 -6.272 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.618 -7.992 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.561 -6.864 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.452 -8.201 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.105 -6.695 6.646 1.00 0.00 H new ATOM 194 N ALA A 16 -3.167 -4.723 5.348 1.00 0.00 N ATOM 195 CA ALA A 16 -3.983 -3.636 5.873 1.00 0.00 C ATOM 196 C ALA A 16 -4.294 -3.847 7.351 1.00 0.00 C ATOM 197 O ALA A 16 -4.785 -4.904 7.748 1.00 0.00 O ATOM 198 CB ALA A 16 -5.272 -3.510 5.073 1.00 0.00 C ATOM 0 H ALA A 16 -3.685 -5.418 4.810 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.416 -2.710 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.872 -2.694 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.034 -3.304 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.834 -4.441 5.140 1.00 0.00 H new ATOM 204 N LYS A 17 -4.005 -2.835 8.162 1.00 0.00 N ATOM 205 CA LYS A 17 -4.253 -2.909 9.597 1.00 0.00 C ATOM 206 C LYS A 17 -5.074 -1.713 10.069 1.00 0.00 C ATOM 207 O LYS A 17 -5.188 -0.711 9.364 1.00 0.00 O ATOM 208 CB LYS A 17 -2.930 -2.967 10.363 1.00 0.00 C ATOM 209 CG LYS A 17 -2.021 -4.101 9.921 1.00 0.00 C ATOM 210 CD LYS A 17 -1.038 -4.485 11.014 1.00 0.00 C ATOM 211 CE LYS A 17 -0.298 -5.770 10.673 1.00 0.00 C ATOM 212 NZ LYS A 17 0.692 -6.136 11.723 1.00 0.00 N ATOM 0 H LYS A 17 -3.598 -1.953 7.850 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.820 -3.819 9.796 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.404 -2.021 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.140 -3.075 11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.624 -4.968 9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.474 -3.803 9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.320 -3.678 11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.571 -4.610 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.016 -6.581 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.213 -5.652 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.175 -7.017 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.392 -5.373 11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.202 -6.274 12.630 1.00 0.00 H new ATOM 226 N GLU A 18 -5.642 -1.826 11.266 1.00 0.00 N ATOM 227 CA GLU A 18 -6.451 -0.752 11.831 1.00 0.00 C ATOM 228 C GLU A 18 -7.395 -0.172 10.781 1.00 0.00 C ATOM 229 O GLU A 18 -7.497 1.045 10.628 1.00 0.00 O ATOM 230 CB GLU A 18 -5.553 0.352 12.392 1.00 0.00 C ATOM 231 CG GLU A 18 -4.542 -0.144 13.412 1.00 0.00 C ATOM 232 CD GLU A 18 -5.127 -0.250 14.807 1.00 0.00 C ATOM 233 OE1 GLU A 18 -6.332 -0.557 14.925 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.378 -0.028 15.782 1.00 0.00 O ATOM 0 H GLU A 18 -5.557 -2.649 11.862 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.049 -1.170 12.641 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.021 0.829 11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.177 1.117 12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.169 -1.120 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.688 0.533 13.430 1.00 0.00 H new ATOM 241 N VAL A 19 -8.082 -1.052 10.060 1.00 0.00 N ATOM 242 CA VAL A 19 -9.017 -0.629 9.026 1.00 0.00 C ATOM 243 C VAL A 19 -10.300 -0.075 9.637 1.00 0.00 C ATOM 244 O VAL A 19 -10.959 -0.742 10.436 1.00 0.00 O ATOM 245 CB VAL A 19 -9.373 -1.792 8.080 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.376 -1.340 7.030 1.00 0.00 C ATOM 247 CG2 VAL A 19 -8.118 -2.349 7.426 1.00 0.00 C ATOM 0 H VAL A 19 -8.008 -2.063 10.174 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.522 0.156 8.455 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.833 -2.587 8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.615 -2.175 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.285 -0.993 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.948 -0.527 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.388 -3.170 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.627 -1.563 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.438 -2.714 8.196 1.00 0.00 H new ATOM 257 N THR A 20 -10.649 1.150 9.256 1.00 0.00 N ATOM 258 CA THR A 20 -11.852 1.795 9.767 1.00 0.00 C ATOM 259 C THR A 20 -12.584 2.547 8.662 1.00 0.00 C ATOM 260 O THR A 20 -12.014 2.882 7.623 1.00 0.00 O ATOM 261 CB THR A 20 -11.523 2.775 10.909 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.226 3.347 10.704 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.565 2.070 12.256 1.00 0.00 C ATOM 0 H THR A 20 -10.116 1.715 8.595 1.00 0.00 H new ATOM 0 HA THR A 20 -12.495 1.004 10.152 1.00 0.00 H new ATOM 0 HB THR A 20 -12.273 3.566 10.908 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.068 3.463 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.329 2.782 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.562 1.661 12.421 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.834 1.261 12.266 1.00 0.00 H new ATOM 271 N PRO A 21 -13.878 2.821 8.888 1.00 0.00 N ATOM 272 CA PRO A 21 -14.715 3.539 7.923 1.00 0.00 C ATOM 273 C PRO A 21 -14.325 5.008 7.796 1.00 0.00 C ATOM 274 O PRO A 21 -14.916 5.751 7.013 1.00 0.00 O ATOM 275 CB PRO A 21 -16.123 3.409 8.509 1.00 0.00 C ATOM 276 CG PRO A 21 -15.909 3.218 9.971 1.00 0.00 C ATOM 277 CD PRO A 21 -14.622 2.452 10.104 1.00 0.00 C ATOM 0 HA PRO A 21 -14.617 3.131 6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.719 4.300 8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.657 2.564 8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.847 4.177 10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.738 2.669 10.418 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.080 2.731 11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.798 1.378 10.157 1.00 0.00 H new ATOM 285 N ARG A 22 -13.326 5.419 8.570 1.00 0.00 N ATOM 286 CA ARG A 22 -12.858 6.799 8.544 1.00 0.00 C ATOM 287 C ARG A 22 -11.419 6.876 8.042 1.00 0.00 C ATOM 288 O ARG A 22 -11.009 7.873 7.446 1.00 0.00 O ATOM 289 CB ARG A 22 -12.957 7.420 9.939 1.00 0.00 C ATOM 290 CG ARG A 22 -14.358 7.884 10.301 1.00 0.00 C ATOM 291 CD ARG A 22 -14.592 9.327 9.883 1.00 0.00 C ATOM 292 NE ARG A 22 -14.003 10.273 10.827 1.00 0.00 N ATOM 293 CZ ARG A 22 -13.789 11.554 10.547 1.00 0.00 C ATOM 294 NH1 ARG A 22 -14.114 12.039 9.357 1.00 0.00 N ATOM 295 NH2 ARG A 22 -13.250 12.352 11.460 1.00 0.00 N ATOM 0 H ARG A 22 -12.825 4.816 9.223 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.494 7.359 7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.623 6.690 10.677 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.276 8.269 9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.092 7.240 9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.508 7.786 11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.167 9.491 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.663 9.513 9.805 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.742 9.932 11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.530 11.428 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.949 13.023 9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.000 11.982 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.086 13.335 11.245 1.00 0.00 H new ATOM 309 N THR A 23 -10.655 5.816 8.288 1.00 0.00 N ATOM 310 CA THR A 23 -9.261 5.763 7.863 1.00 0.00 C ATOM 311 C THR A 23 -8.765 4.324 7.782 1.00 0.00 C ATOM 312 O THR A 23 -9.467 3.393 8.175 1.00 0.00 O ATOM 313 CB THR A 23 -8.352 6.555 8.822 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.364 5.950 10.120 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.806 8.003 8.927 1.00 0.00 C ATOM 0 H THR A 23 -10.978 4.983 8.779 1.00 0.00 H new ATOM 0 HA THR A 23 -9.214 6.216 6.873 1.00 0.00 H new ATOM 0 HB THR A 23 -7.338 6.538 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.783 6.458 10.723 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.149 8.542 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.767 8.469 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.828 8.037 9.304 1.00 0.00 H new ATOM 323 N ALA A 24 -7.551 4.149 7.270 1.00 0.00 N ATOM 324 CA ALA A 24 -6.961 2.823 7.140 1.00 0.00 C ATOM 325 C ALA A 24 -5.438 2.893 7.192 1.00 0.00 C ATOM 326 O ALA A 24 -4.816 3.660 6.455 1.00 0.00 O ATOM 327 CB ALA A 24 -7.417 2.166 5.846 1.00 0.00 C ATOM 0 H ALA A 24 -6.957 4.909 6.939 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.300 2.218 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.968 1.176 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.503 2.073 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.107 2.777 4.999 1.00 0.00 H new ATOM 333 N LEU A 25 -4.843 2.089 8.065 1.00 0.00 N ATOM 334 CA LEU A 25 -3.392 2.060 8.213 1.00 0.00 C ATOM 335 C LEU A 25 -2.793 0.869 7.472 1.00 0.00 C ATOM 336 O LEU A 25 -3.274 -0.258 7.594 1.00 0.00 O ATOM 337 CB LEU A 25 -3.012 1.997 9.694 1.00 0.00 C ATOM 338 CG LEU A 25 -1.514 1.994 10.002 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.975 3.416 10.045 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.242 1.279 11.318 1.00 0.00 C ATOM 0 H LEU A 25 -5.343 1.448 8.682 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.989 2.975 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.465 2.848 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.453 1.098 10.124 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.000 1.456 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.092 3.394 10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.136 3.896 9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.494 3.979 10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.171 1.286 11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.768 1.789 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.592 0.249 11.251 1.00 0.00 H new ATOM 352 N LEU A 26 -1.739 1.126 6.704 1.00 0.00 N ATOM 353 CA LEU A 26 -1.072 0.075 5.944 1.00 0.00 C ATOM 354 C LEU A 26 0.379 -0.080 6.388 1.00 0.00 C ATOM 355 O LEU A 26 1.180 0.848 6.268 1.00 0.00 O ATOM 356 CB LEU A 26 -1.129 0.386 4.448 1.00 0.00 C ATOM 357 CG LEU A 26 -2.358 -0.134 3.700 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.644 0.727 2.480 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.160 -1.587 3.296 1.00 0.00 C ATOM 0 H LEU A 26 -1.328 2.053 6.592 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.593 -0.863 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.081 1.467 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.239 -0.030 3.977 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.218 -0.077 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.522 0.342 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.830 1.754 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.786 0.703 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.044 -1.941 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.289 -1.668 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.005 -2.195 4.188 1.00 0.00 H new ATOM 371 N THR A 27 0.714 -1.261 6.899 1.00 0.00 N ATOM 372 CA THR A 27 2.068 -1.539 7.360 1.00 0.00 C ATOM 373 C THR A 27 2.809 -2.439 6.378 1.00 0.00 C ATOM 374 O THR A 27 2.216 -3.329 5.768 1.00 0.00 O ATOM 375 CB THR A 27 2.064 -2.206 8.748 1.00 0.00 C ATOM 376 OG1 THR A 27 1.453 -3.499 8.667 1.00 0.00 O ATOM 377 CG2 THR A 27 1.317 -1.349 9.758 1.00 0.00 C ATOM 0 H THR A 27 0.065 -2.041 7.004 1.00 0.00 H new ATOM 0 HA THR A 27 2.581 -0.580 7.428 1.00 0.00 H new ATOM 0 HB THR A 27 3.097 -2.312 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.596 -3.982 9.508 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.328 -1.841 10.731 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.801 -0.376 9.838 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.286 -1.216 9.430 1.00 0.00 H new ATOM 385 N TRP A 28 4.107 -2.202 6.229 1.00 0.00 N ATOM 386 CA TRP A 28 4.929 -2.993 5.321 1.00 0.00 C ATOM 387 C TRP A 28 6.364 -3.088 5.828 1.00 0.00 C ATOM 388 O TRP A 28 6.819 -2.241 6.597 1.00 0.00 O ATOM 389 CB TRP A 28 4.910 -2.381 3.919 1.00 0.00 C ATOM 390 CG TRP A 28 5.751 -1.147 3.798 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.096 -1.091 3.567 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.304 0.209 3.904 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.512 0.218 3.523 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.431 1.035 3.726 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.061 0.806 4.131 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.350 2.424 3.769 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.982 2.185 4.173 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.120 2.982 3.992 1.00 0.00 C ATOM 0 H TRP A 28 4.613 -1.468 6.725 1.00 0.00 H new ATOM 0 HA TRP A 28 4.512 -3.999 5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.261 -3.123 3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.882 -2.139 3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.738 -1.950 3.438 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.470 0.531 3.365 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.178 0.200 4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.227 3.040 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.026 2.657 4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.025 4.057 4.029 1.00 0.00 H new ATOM 409 N THR A 29 7.074 -4.124 5.392 1.00 0.00 N ATOM 410 CA THR A 29 8.457 -4.330 5.802 1.00 0.00 C ATOM 411 C THR A 29 9.426 -3.698 4.809 1.00 0.00 C ATOM 412 O THR A 29 9.544 -4.150 3.671 1.00 0.00 O ATOM 413 CB THR A 29 8.786 -5.828 5.939 1.00 0.00 C ATOM 414 OG1 THR A 29 7.994 -6.410 6.981 1.00 0.00 O ATOM 415 CG2 THR A 29 10.262 -6.033 6.243 1.00 0.00 C ATOM 0 H THR A 29 6.713 -4.834 4.754 1.00 0.00 H new ATOM 0 HA THR A 29 8.572 -3.850 6.774 1.00 0.00 H new ATOM 0 HB THR A 29 8.556 -6.316 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.208 -7.363 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.470 -7.099 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.862 -5.615 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.514 -5.532 7.178 1.00 0.00 H new ATOM 423 N GLU A 30 10.116 -2.650 5.247 1.00 0.00 N ATOM 424 CA GLU A 30 11.074 -1.956 4.395 1.00 0.00 C ATOM 425 C GLU A 30 12.284 -2.840 4.105 1.00 0.00 C ATOM 426 O GLU A 30 12.746 -3.602 4.955 1.00 0.00 O ATOM 427 CB GLU A 30 11.527 -0.652 5.055 1.00 0.00 C ATOM 428 CG GLU A 30 10.648 0.540 4.715 1.00 0.00 C ATOM 429 CD GLU A 30 11.382 1.861 4.844 1.00 0.00 C ATOM 430 OE1 GLU A 30 11.568 2.328 5.986 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.769 2.428 3.800 1.00 0.00 O ATOM 0 H GLU A 30 10.029 -2.263 6.187 1.00 0.00 H new ATOM 0 HA GLU A 30 10.581 -1.724 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.539 -0.787 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.551 -0.437 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.276 0.433 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.779 0.546 5.373 1.00 0.00 H new ATOM 438 N PRO A 31 12.810 -2.737 2.876 1.00 0.00 N ATOM 439 CA PRO A 31 13.973 -3.519 2.444 1.00 0.00 C ATOM 440 C PRO A 31 15.258 -3.078 3.138 1.00 0.00 C ATOM 441 O PRO A 31 15.304 -2.053 3.819 1.00 0.00 O ATOM 442 CB PRO A 31 14.053 -3.237 0.942 1.00 0.00 C ATOM 443 CG PRO A 31 13.393 -1.912 0.770 1.00 0.00 C ATOM 444 CD PRO A 31 12.311 -1.849 1.812 1.00 0.00 C ATOM 0 HA PRO A 31 13.866 -4.576 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.087 -3.212 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.545 -4.010 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.108 -1.100 0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.976 -1.811 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.161 -0.832 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.354 -2.191 1.419 1.00 0.00 H new ATOM 452 N PRO A 32 16.327 -3.867 2.961 1.00 0.00 N ATOM 453 CA PRO A 32 17.633 -3.577 3.562 1.00 0.00 C ATOM 454 C PRO A 32 18.304 -2.362 2.931 1.00 0.00 C ATOM 455 O PRO A 32 19.281 -1.835 3.462 1.00 0.00 O ATOM 456 CB PRO A 32 18.444 -4.844 3.276 1.00 0.00 C ATOM 457 CG PRO A 32 17.808 -5.436 2.065 1.00 0.00 C ATOM 458 CD PRO A 32 16.345 -5.104 2.162 1.00 0.00 C ATOM 0 HA PRO A 32 17.550 -3.338 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.494 -4.610 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.410 -5.535 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.242 -5.023 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.962 -6.515 2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.901 -4.953 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.783 -5.903 2.646 1.00 0.00 H new ATOM 466 N VAL A 33 17.772 -1.921 1.795 1.00 0.00 N ATOM 467 CA VAL A 33 18.319 -0.766 1.093 1.00 0.00 C ATOM 468 C VAL A 33 17.265 0.322 0.920 1.00 0.00 C ATOM 469 O VAL A 33 16.548 0.353 -0.080 1.00 0.00 O ATOM 470 CB VAL A 33 18.867 -1.159 -0.292 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.403 0.064 -1.021 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.945 -2.224 -0.156 1.00 0.00 C ATOM 0 H VAL A 33 16.963 -2.346 1.342 1.00 0.00 H new ATOM 0 HA VAL A 33 19.136 -0.382 1.704 1.00 0.00 H new ATOM 0 HB VAL A 33 18.050 -1.575 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.786 -0.233 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.601 0.790 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.207 0.512 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.321 -2.490 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.763 -1.838 0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.524 -3.109 0.322 1.00 0.00 H new ATOM 482 N ARG A 34 17.176 1.213 1.902 1.00 0.00 N ATOM 483 CA ARG A 34 16.209 2.303 1.860 1.00 0.00 C ATOM 484 C ARG A 34 16.175 2.946 0.476 1.00 0.00 C ATOM 485 O ARG A 34 17.180 3.452 -0.025 1.00 0.00 O ATOM 486 CB ARG A 34 16.549 3.356 2.915 1.00 0.00 C ATOM 487 CG ARG A 34 15.364 4.217 3.321 1.00 0.00 C ATOM 488 CD ARG A 34 15.635 4.964 4.618 1.00 0.00 C ATOM 489 NE ARG A 34 16.094 4.071 5.678 1.00 0.00 N ATOM 490 CZ ARG A 34 16.600 4.497 6.830 1.00 0.00 C ATOM 491 NH1 ARG A 34 16.713 5.796 7.068 1.00 0.00 N ATOM 492 NH2 ARG A 34 16.996 3.623 7.746 1.00 0.00 N ATOM 0 H ARG A 34 17.762 1.201 2.737 1.00 0.00 H new ATOM 0 HA ARG A 34 15.223 1.890 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.945 2.857 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.340 4.000 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.144 4.931 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.481 3.589 3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.386 5.734 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.726 5.472 4.940 1.00 0.00 H new ATOM 0 HE ARG A 34 16.022 3.065 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.411 6.471 6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.102 6.120 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.912 2.622 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.384 3.952 8.630 1.00 0.00 H new ATOM 506 N PRO A 35 14.993 2.926 -0.157 1.00 0.00 N ATOM 507 CA PRO A 35 14.800 3.503 -1.491 1.00 0.00 C ATOM 508 C PRO A 35 14.880 5.026 -1.481 1.00 0.00 C ATOM 509 O PRO A 35 14.650 5.663 -0.453 1.00 0.00 O ATOM 510 CB PRO A 35 13.390 3.045 -1.874 1.00 0.00 C ATOM 511 CG PRO A 35 12.697 2.822 -0.575 1.00 0.00 C ATOM 512 CD PRO A 35 13.754 2.340 0.381 1.00 0.00 C ATOM 0 HA PRO A 35 15.573 3.182 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.878 3.799 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.418 2.132 -2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.236 3.742 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.900 2.086 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.559 2.677 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.804 1.252 0.410 1.00 0.00 H new ATOM 520 N ALA A 36 15.208 5.604 -2.632 1.00 0.00 N ATOM 521 CA ALA A 36 15.316 7.052 -2.756 1.00 0.00 C ATOM 522 C ALA A 36 14.022 7.738 -2.331 1.00 0.00 C ATOM 523 O ALA A 36 14.045 8.769 -1.661 1.00 0.00 O ATOM 524 CB ALA A 36 15.674 7.434 -4.184 1.00 0.00 C ATOM 0 H ALA A 36 15.403 5.091 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 36 16.111 7.390 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.751 8.518 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.629 6.982 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.899 7.076 -4.862 1.00 0.00 H new ATOM 530 N GLY A 37 12.892 7.158 -2.728 1.00 0.00 N ATOM 531 CA GLY A 37 11.604 7.728 -2.379 1.00 0.00 C ATOM 532 C GLY A 37 10.488 6.703 -2.418 1.00 0.00 C ATOM 533 O GLY A 37 10.713 5.542 -2.760 1.00 0.00 O ATOM 0 H GLY A 37 12.846 6.304 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.660 8.162 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.371 8.541 -3.067 1.00 0.00 H new ATOM 537 N TYR A 38 9.281 7.132 -2.065 1.00 0.00 N ATOM 538 CA TYR A 38 8.126 6.243 -2.057 1.00 0.00 C ATOM 539 C TYR A 38 6.943 6.879 -2.781 1.00 0.00 C ATOM 540 O TYR A 38 6.640 8.056 -2.584 1.00 0.00 O ATOM 541 CB TYR A 38 7.732 5.897 -0.619 1.00 0.00 C ATOM 542 CG TYR A 38 8.429 4.668 -0.080 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.506 3.502 -0.831 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.012 4.674 1.181 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.141 2.377 -0.341 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.651 3.555 1.679 1.00 0.00 C ATOM 547 CZ TYR A 38 9.712 2.409 0.914 1.00 0.00 C ATOM 548 OH TYR A 38 10.347 1.291 1.404 1.00 0.00 O ATOM 0 H TYR A 38 9.078 8.090 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 38 8.401 5.328 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.960 6.746 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.654 5.743 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.062 3.474 -1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.965 5.570 1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.190 1.478 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.100 3.577 2.661 1.00 0.00 H new ATOM 0 HH TYR A 38 11.024 1.560 2.059 1.00 0.00 H new ATOM 558 N LEU A 39 6.278 6.091 -3.618 1.00 0.00 N ATOM 559 CA LEU A 39 5.127 6.575 -4.373 1.00 0.00 C ATOM 560 C LEU A 39 3.897 5.714 -4.102 1.00 0.00 C ATOM 561 O LEU A 39 3.716 4.661 -4.715 1.00 0.00 O ATOM 562 CB LEU A 39 5.439 6.582 -5.870 1.00 0.00 C ATOM 563 CG LEU A 39 4.648 7.579 -6.716 1.00 0.00 C ATOM 564 CD1 LEU A 39 5.359 8.922 -6.764 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.436 7.036 -8.122 1.00 0.00 C ATOM 0 H LEU A 39 6.516 5.114 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 39 4.914 7.594 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.501 6.790 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.260 5.581 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 39 3.672 7.724 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.781 9.618 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.458 9.317 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.349 8.794 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.871 7.759 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.403 6.861 -8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.882 6.099 -8.070 1.00 0.00 H new ATOM 577 N LEU A 40 3.054 6.169 -3.182 1.00 0.00 N ATOM 578 CA LEU A 40 1.839 5.441 -2.832 1.00 0.00 C ATOM 579 C LEU A 40 0.643 5.968 -3.618 1.00 0.00 C ATOM 580 O LEU A 40 0.332 7.158 -3.573 1.00 0.00 O ATOM 581 CB LEU A 40 1.567 5.556 -1.331 1.00 0.00 C ATOM 582 CG LEU A 40 0.404 4.721 -0.794 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.817 3.265 -0.641 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.085 5.280 0.535 1.00 0.00 C ATOM 0 H LEU A 40 3.189 7.038 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 40 1.986 4.392 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.472 5.269 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.375 6.603 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.415 4.772 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.024 2.687 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.118 2.868 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.653 3.195 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.913 4.673 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.729 5.260 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.422 6.307 0.396 1.00 0.00 H new ATOM 596 N SER A 41 -0.027 5.072 -4.337 1.00 0.00 N ATOM 597 CA SER A 41 -1.189 5.447 -5.135 1.00 0.00 C ATOM 598 C SER A 41 -2.385 4.561 -4.802 1.00 0.00 C ATOM 599 O SER A 41 -2.340 3.344 -4.979 1.00 0.00 O ATOM 600 CB SER A 41 -0.864 5.344 -6.627 1.00 0.00 C ATOM 601 OG SER A 41 -1.993 5.670 -7.418 1.00 0.00 O ATOM 0 H SER A 41 0.215 4.082 -4.383 1.00 0.00 H new ATOM 0 HA SER A 41 -1.445 6.479 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.040 6.015 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.532 4.333 -6.861 1.00 0.00 H new ATOM 0 HG SER A 41 -1.759 5.598 -8.367 1.00 0.00 H new ATOM 607 N PHE A 42 -3.456 5.182 -4.317 1.00 0.00 N ATOM 608 CA PHE A 42 -4.665 4.451 -3.957 1.00 0.00 C ATOM 609 C PHE A 42 -5.850 4.912 -4.801 1.00 0.00 C ATOM 610 O PHE A 42 -6.206 6.090 -4.801 1.00 0.00 O ATOM 611 CB PHE A 42 -4.978 4.641 -2.471 1.00 0.00 C ATOM 612 CG PHE A 42 -5.637 5.955 -2.161 1.00 0.00 C ATOM 613 CD1 PHE A 42 -7.016 6.081 -2.202 1.00 0.00 C ATOM 614 CD2 PHE A 42 -4.876 7.065 -1.829 1.00 0.00 C ATOM 615 CE1 PHE A 42 -7.625 7.289 -1.916 1.00 0.00 C ATOM 616 CE2 PHE A 42 -5.479 8.275 -1.542 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.855 8.387 -1.587 1.00 0.00 C ATOM 0 H PHE A 42 -3.511 6.189 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.492 3.393 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.627 3.831 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.053 4.564 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.623 5.226 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.800 6.983 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.701 7.374 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.875 9.132 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.328 9.332 -1.365 1.00 0.00 H new ATOM 627 N HIS A 43 -6.457 3.973 -5.520 1.00 0.00 N ATOM 628 CA HIS A 43 -7.603 4.281 -6.369 1.00 0.00 C ATOM 629 C HIS A 43 -8.828 3.479 -5.941 1.00 0.00 C ATOM 630 O HIS A 43 -8.709 2.453 -5.271 1.00 0.00 O ATOM 631 CB HIS A 43 -7.273 3.987 -7.833 1.00 0.00 C ATOM 632 CG HIS A 43 -7.521 2.564 -8.229 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.346 1.502 -7.368 1.00 0.00 N ATOM 634 CD2 HIS A 43 -7.937 2.031 -9.402 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.640 0.377 -7.995 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.002 0.670 -9.230 1.00 0.00 N ATOM 0 H HIS A 43 -6.175 2.993 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.829 5.342 -6.261 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.868 4.642 -8.470 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.226 4.229 -8.017 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.038 1.574 -6.398 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.174 2.575 -10.305 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.592 -0.614 -7.569 1.00 0.00 H new ATOM 645 N THR A 44 -10.007 3.955 -6.330 1.00 0.00 N ATOM 646 CA THR A 44 -11.254 3.285 -5.985 1.00 0.00 C ATOM 647 C THR A 44 -11.759 2.433 -7.144 1.00 0.00 C ATOM 648 O THR A 44 -11.560 2.755 -8.316 1.00 0.00 O ATOM 649 CB THR A 44 -12.346 4.297 -5.592 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.059 4.726 -6.758 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.739 5.503 -4.891 1.00 0.00 C ATOM 0 H THR A 44 -10.124 4.803 -6.885 1.00 0.00 H new ATOM 0 HA THR A 44 -11.041 2.642 -5.131 1.00 0.00 H new ATOM 0 HB THR A 44 -13.035 3.806 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.753 5.368 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.529 6.204 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.222 5.177 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.030 5.993 -5.558 1.00 0.00 H new ATOM 659 N PRO A 45 -12.430 1.320 -6.813 1.00 0.00 N ATOM 660 CA PRO A 45 -12.979 0.400 -7.813 1.00 0.00 C ATOM 661 C PRO A 45 -14.158 1.002 -8.570 1.00 0.00 C ATOM 662 O PRO A 45 -15.315 0.719 -8.264 1.00 0.00 O ATOM 663 CB PRO A 45 -13.436 -0.799 -6.979 1.00 0.00 C ATOM 664 CG PRO A 45 -13.697 -0.240 -5.623 1.00 0.00 C ATOM 665 CD PRO A 45 -12.704 0.874 -5.437 1.00 0.00 C ATOM 0 HA PRO A 45 -12.247 0.149 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.333 -1.254 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.670 -1.574 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.719 0.131 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.575 -1.004 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.113 1.680 -4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.799 0.526 -4.939 1.00 0.00 H new ATOM 704 N THR A 49 -8.129 7.817 -9.506 1.00 0.00 N ATOM 705 CA THR A 49 -6.922 7.430 -8.786 1.00 0.00 C ATOM 706 C THR A 49 -6.230 8.645 -8.180 1.00 0.00 C ATOM 707 O THR A 49 -6.297 9.746 -8.727 1.00 0.00 O ATOM 708 CB THR A 49 -5.930 6.695 -9.708 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.527 5.495 -10.212 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.648 6.356 -8.962 1.00 0.00 C ATOM 0 HA THR A 49 -7.232 6.756 -7.987 1.00 0.00 H new ATOM 0 HB THR A 49 -5.684 7.354 -10.540 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.891 5.035 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.963 5.838 -9.633 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.181 7.274 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.880 5.713 -8.113 1.00 0.00 H new ATOM 718 N GLN A 50 -5.564 8.438 -7.048 1.00 0.00 N ATOM 719 CA GLN A 50 -4.860 9.518 -6.368 1.00 0.00 C ATOM 720 C GLN A 50 -3.450 9.086 -5.976 1.00 0.00 C ATOM 721 O GLN A 50 -3.264 8.058 -5.326 1.00 0.00 O ATOM 722 CB GLN A 50 -5.635 9.958 -5.125 1.00 0.00 C ATOM 723 CG GLN A 50 -4.922 11.023 -4.308 1.00 0.00 C ATOM 724 CD GLN A 50 -4.973 12.391 -4.961 1.00 0.00 C ATOM 725 OE1 GLN A 50 -5.831 12.658 -5.803 1.00 0.00 O ATOM 726 NE2 GLN A 50 -4.053 13.267 -4.574 1.00 0.00 N ATOM 0 H GLN A 50 -5.498 7.533 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.785 10.359 -7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.610 10.339 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.816 9.088 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.375 11.080 -3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.882 10.731 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.361 13.003 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.039 14.204 -4.978 1.00 0.00 H new ATOM 735 N GLU A 51 -2.461 9.879 -6.377 1.00 0.00 N ATOM 736 CA GLU A 51 -1.068 9.577 -6.068 1.00 0.00 C ATOM 737 C GLU A 51 -0.589 10.390 -4.869 1.00 0.00 C ATOM 738 O GLU A 51 -1.020 11.524 -4.661 1.00 0.00 O ATOM 739 CB GLU A 51 -0.180 9.864 -7.280 1.00 0.00 C ATOM 740 CG GLU A 51 -0.267 8.802 -8.363 1.00 0.00 C ATOM 741 CD GLU A 51 0.617 9.111 -9.556 1.00 0.00 C ATOM 742 OE1 GLU A 51 0.780 10.306 -9.879 1.00 0.00 O ATOM 743 OE2 GLU A 51 1.145 8.158 -10.166 1.00 0.00 O ATOM 0 H GLU A 51 -2.598 10.734 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.999 8.518 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.460 10.828 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.855 9.950 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.019 7.837 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.301 8.711 -8.696 1.00 0.00 H new ATOM 750 N ILE A 52 0.306 9.801 -4.082 1.00 0.00 N ATOM 751 CA ILE A 52 0.845 10.470 -2.904 1.00 0.00 C ATOM 752 C ILE A 52 2.355 10.283 -2.809 1.00 0.00 C ATOM 753 O ILE A 52 2.854 9.157 -2.801 1.00 0.00 O ATOM 754 CB ILE A 52 0.192 9.946 -1.612 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.323 10.156 -1.658 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.791 10.639 -0.397 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.078 9.342 -0.631 1.00 0.00 C ATOM 0 H ILE A 52 0.673 8.862 -4.239 1.00 0.00 H new ATOM 0 HA ILE A 52 0.619 11.531 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 52 0.389 8.877 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.540 11.213 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.687 9.899 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.319 10.258 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.863 10.443 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.621 11.713 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.146 9.541 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.891 8.281 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.742 9.616 0.369 1.00 0.00 H new ATOM 769 N LEU A 53 3.079 11.395 -2.735 1.00 0.00 N ATOM 770 CA LEU A 53 4.534 11.355 -2.638 1.00 0.00 C ATOM 771 C LEU A 53 4.979 11.187 -1.189 1.00 0.00 C ATOM 772 O LEU A 53 5.000 12.148 -0.419 1.00 0.00 O ATOM 773 CB LEU A 53 5.139 12.632 -3.224 1.00 0.00 C ATOM 774 CG LEU A 53 6.630 12.576 -3.558 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.954 13.509 -4.715 1.00 0.00 C ATOM 776 CD2 LEU A 53 7.464 12.930 -2.336 1.00 0.00 C ATOM 0 H LEU A 53 2.682 12.335 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 53 4.888 10.497 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.593 12.885 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.976 13.445 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 53 6.877 11.558 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.020 13.455 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.384 13.210 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.691 14.531 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.522 12.885 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.214 13.938 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.254 12.221 -1.535 1.00 0.00 H new ATOM 788 N LEU A 54 5.336 9.960 -0.824 1.00 0.00 N ATOM 789 CA LEU A 54 5.783 9.666 0.533 1.00 0.00 C ATOM 790 C LEU A 54 7.131 10.320 0.816 1.00 0.00 C ATOM 791 O LEU A 54 7.899 10.636 -0.093 1.00 0.00 O ATOM 792 CB LEU A 54 5.883 8.154 0.741 1.00 0.00 C ATOM 793 CG LEU A 54 4.592 7.446 1.154 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.327 7.643 2.639 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.419 7.953 0.329 1.00 0.00 C ATOM 0 H LEU A 54 5.325 9.154 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 54 5.049 10.075 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.241 7.703 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.639 7.961 1.502 1.00 0.00 H new ATOM 0 HG LEU A 54 4.709 6.379 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.404 7.132 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.156 7.231 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.231 8.707 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.509 7.438 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.300 9.025 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.606 7.759 -0.727 1.00 0.00 H new ATOM 807 N PRO A 55 7.429 10.528 2.107 1.00 0.00 N ATOM 808 CA PRO A 55 8.687 11.144 2.541 1.00 0.00 C ATOM 809 C PRO A 55 9.888 10.234 2.308 1.00 0.00 C ATOM 810 O PRO A 55 11.032 10.687 2.312 1.00 0.00 O ATOM 811 CB PRO A 55 8.472 11.374 4.039 1.00 0.00 C ATOM 812 CG PRO A 55 7.460 10.356 4.437 1.00 0.00 C ATOM 813 CD PRO A 55 6.561 10.177 3.244 1.00 0.00 C ATOM 0 HA PRO A 55 8.908 12.055 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.400 11.248 4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.116 12.385 4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.939 9.415 4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.893 10.689 5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.193 9.154 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.687 10.827 3.298 1.00 0.00 H new ATOM 821 N GLY A 56 9.620 8.947 2.106 1.00 0.00 N ATOM 822 CA GLY A 56 10.690 7.994 1.875 1.00 0.00 C ATOM 823 C GLY A 56 11.492 7.707 3.129 1.00 0.00 C ATOM 824 O GLY A 56 12.564 8.274 3.331 1.00 0.00 O ATOM 0 H GLY A 56 8.681 8.548 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.268 7.063 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.355 8.380 1.102 1.00 0.00 H new ATOM 828 N GLY A 57 10.969 6.824 3.974 1.00 0.00 N ATOM 829 CA GLY A 57 11.656 6.479 5.205 1.00 0.00 C ATOM 830 C GLY A 57 10.700 6.066 6.307 1.00 0.00 C ATOM 831 O GLY A 57 10.927 6.367 7.479 1.00 0.00 O ATOM 0 H GLY A 57 10.082 6.342 3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.355 5.666 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.245 7.333 5.540 1.00 0.00 H new ATOM 835 N ILE A 58 9.628 5.377 5.930 1.00 0.00 N ATOM 836 CA ILE A 58 8.635 4.923 6.895 1.00 0.00 C ATOM 837 C ILE A 58 8.230 3.478 6.628 1.00 0.00 C ATOM 838 O ILE A 58 8.636 2.881 5.631 1.00 0.00 O ATOM 839 CB ILE A 58 7.376 5.811 6.867 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.536 5.502 5.626 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.764 7.281 6.898 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.264 6.317 5.540 1.00 0.00 C ATOM 0 H ILE A 58 9.425 5.121 4.964 1.00 0.00 H new ATOM 0 HA ILE A 58 9.097 4.992 7.880 1.00 0.00 H new ATOM 0 HB ILE A 58 6.777 5.595 7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.137 5.686 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.280 4.442 5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.864 7.895 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.326 7.490 7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.381 7.513 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.719 6.046 4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.643 6.115 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.513 7.378 5.509 1.00 0.00 H new ATOM 854 N THR A 59 7.424 2.919 7.527 1.00 0.00 N ATOM 855 CA THR A 59 6.963 1.543 7.389 1.00 0.00 C ATOM 856 C THR A 59 5.451 1.487 7.203 1.00 0.00 C ATOM 857 O THR A 59 4.918 0.517 6.663 1.00 0.00 O ATOM 858 CB THR A 59 7.350 0.695 8.615 1.00 0.00 C ATOM 859 OG1 THR A 59 7.086 1.424 9.818 1.00 0.00 O ATOM 860 CG2 THR A 59 8.821 0.309 8.563 1.00 0.00 C ATOM 0 H THR A 59 7.078 3.399 8.358 1.00 0.00 H new ATOM 0 HA THR A 59 7.451 1.133 6.505 1.00 0.00 H new ATOM 0 HB THR A 59 6.751 -0.215 8.603 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.333 0.877 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.071 -0.289 9.439 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.013 -0.271 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.434 1.211 8.552 1.00 0.00 H new ATOM 868 N SER A 60 4.764 2.532 7.653 1.00 0.00 N ATOM 869 CA SER A 60 3.312 2.599 7.540 1.00 0.00 C ATOM 870 C SER A 60 2.853 4.031 7.278 1.00 0.00 C ATOM 871 O SER A 60 3.458 4.987 7.764 1.00 0.00 O ATOM 872 CB SER A 60 2.654 2.066 8.813 1.00 0.00 C ATOM 873 OG SER A 60 3.063 2.809 9.948 1.00 0.00 O ATOM 0 H SER A 60 5.190 3.344 8.099 1.00 0.00 H new ATOM 0 HA SER A 60 3.010 1.978 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.570 2.115 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.914 1.016 8.949 1.00 0.00 H new ATOM 0 HG SER A 60 2.627 2.450 10.749 1.00 0.00 H new ATOM 879 N HIS A 61 1.780 4.170 6.507 1.00 0.00 N ATOM 880 CA HIS A 61 1.238 5.484 6.180 1.00 0.00 C ATOM 881 C HIS A 61 -0.242 5.566 6.539 1.00 0.00 C ATOM 882 O HIS A 61 -0.989 4.606 6.353 1.00 0.00 O ATOM 883 CB HIS A 61 1.432 5.783 4.693 1.00 0.00 C ATOM 884 CG HIS A 61 1.426 7.246 4.371 1.00 0.00 C ATOM 885 ND1 HIS A 61 0.940 7.754 3.185 1.00 0.00 N ATOM 886 CD2 HIS A 61 1.850 8.312 5.089 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.066 9.069 3.186 1.00 0.00 C ATOM 888 NE2 HIS A 61 1.615 9.433 4.331 1.00 0.00 N ATOM 0 H HIS A 61 1.268 3.389 6.097 1.00 0.00 H new ATOM 0 HA HIS A 61 1.777 6.228 6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.377 5.351 4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.642 5.291 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.291 8.286 6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.771 9.733 2.387 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.830 10.391 4.607 1.00 0.00 H new ATOM 897 N GLN A 62 -0.658 6.719 7.054 1.00 0.00 N ATOM 898 CA GLN A 62 -2.049 6.924 7.440 1.00 0.00 C ATOM 899 C GLN A 62 -2.827 7.615 6.325 1.00 0.00 C ATOM 900 O GLN A 62 -2.619 8.797 6.048 1.00 0.00 O ATOM 901 CB GLN A 62 -2.127 7.755 8.722 1.00 0.00 C ATOM 902 CG GLN A 62 -3.526 7.833 9.312 1.00 0.00 C ATOM 903 CD GLN A 62 -4.235 6.493 9.313 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.941 6.196 8.228 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -4.150 5.733 10.278 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.052 7.524 7.213 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.498 5.947 7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.452 7.328 9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.773 8.764 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.465 8.208 10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.116 8.552 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.596 6.002 11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.633 4.835 10.264 1.00 0.00 H new ATOM 914 N LEU A 63 -3.724 6.871 5.687 1.00 0.00 N ATOM 915 CA LEU A 63 -4.534 7.411 4.600 1.00 0.00 C ATOM 916 C LEU A 63 -5.755 8.144 5.145 1.00 0.00 C ATOM 917 O LEU A 63 -6.306 7.771 6.181 1.00 0.00 O ATOM 918 CB LEU A 63 -4.975 6.289 3.660 1.00 0.00 C ATOM 919 CG LEU A 63 -3.867 5.619 2.847 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.321 4.256 2.348 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.451 6.504 1.682 1.00 0.00 C ATOM 0 H LEU A 63 -3.909 5.892 5.904 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.924 8.123 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.478 5.524 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.713 6.692 2.967 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.003 5.476 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.520 3.794 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.568 3.621 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.201 4.375 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.662 6.011 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.309 6.679 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.084 7.457 2.062 1.00 0.00 H new ATOM 933 N LEU A 64 -6.175 9.188 4.439 1.00 0.00 N ATOM 934 CA LEU A 64 -7.334 9.974 4.850 1.00 0.00 C ATOM 935 C LEU A 64 -8.301 10.167 3.686 1.00 0.00 C ATOM 936 O LEU A 64 -7.933 9.998 2.525 1.00 0.00 O ATOM 937 CB LEU A 64 -6.888 11.334 5.388 1.00 0.00 C ATOM 938 CG LEU A 64 -6.099 11.312 6.698 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.509 12.683 6.989 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.985 10.855 7.847 1.00 0.00 C ATOM 0 H LEU A 64 -5.731 9.510 3.579 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.850 9.429 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.277 11.821 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.773 11.954 5.531 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.279 10.601 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.951 12.648 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.840 12.971 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.313 13.415 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.407 10.846 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.826 11.540 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.358 9.851 7.642 1.00 0.00 H new ATOM 952 N GLY A 65 -9.541 10.524 4.007 1.00 0.00 N ATOM 953 CA GLY A 65 -10.542 10.736 2.978 1.00 0.00 C ATOM 954 C GLY A 65 -10.995 9.441 2.333 1.00 0.00 C ATOM 955 O GLY A 65 -10.912 9.283 1.115 1.00 0.00 O ATOM 0 H GLY A 65 -9.870 10.670 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.404 11.242 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.137 11.397 2.212 1.00 0.00 H new ATOM 959 N LEU A 66 -11.473 8.511 3.152 1.00 0.00 N ATOM 960 CA LEU A 66 -11.940 7.221 2.655 1.00 0.00 C ATOM 961 C LEU A 66 -13.462 7.137 2.704 1.00 0.00 C ATOM 962 O LEU A 66 -14.130 8.060 3.169 1.00 0.00 O ATOM 963 CB LEU A 66 -11.328 6.084 3.476 1.00 0.00 C ATOM 964 CG LEU A 66 -9.813 6.142 3.677 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.320 4.888 4.383 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.104 6.318 2.342 1.00 0.00 C ATOM 0 H LEU A 66 -11.548 8.626 4.163 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.623 7.123 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.804 6.073 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.574 5.139 2.991 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.582 7.003 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.240 4.947 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.803 4.805 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.563 4.012 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.027 6.357 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.342 5.478 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.434 7.245 1.874 1.00 0.00 H new ATOM 978 N PHE A 67 -14.003 6.022 2.224 1.00 0.00 N ATOM 979 CA PHE A 67 -15.447 5.816 2.215 1.00 0.00 C ATOM 980 C PHE A 67 -15.828 4.598 3.051 1.00 0.00 C ATOM 981 O PHE A 67 -15.081 3.625 3.154 1.00 0.00 O ATOM 982 CB PHE A 67 -15.949 5.641 0.780 1.00 0.00 C ATOM 983 CG PHE A 67 -15.813 6.880 -0.058 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.153 8.121 0.456 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.345 6.805 -1.360 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.030 9.263 -0.313 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.219 7.943 -2.134 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.561 9.174 -1.609 1.00 0.00 C ATOM 0 H PHE A 67 -13.464 5.248 1.836 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.917 6.696 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.396 4.829 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.997 5.342 0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.518 8.197 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.075 5.845 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.300 10.224 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.854 7.870 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.462 10.065 -2.211 1.00 0.00 H new ATOM 998 N PRO A 68 -17.020 4.652 3.664 1.00 0.00 N ATOM 999 CA PRO A 68 -17.529 3.562 4.502 1.00 0.00 C ATOM 1000 C PRO A 68 -17.893 2.326 3.687 1.00 0.00 C ATOM 1001 O PRO A 68 -18.752 2.382 2.807 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.779 4.165 5.148 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.219 5.227 4.201 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.963 5.780 3.585 1.00 0.00 C ATOM 0 HA PRO A 68 -16.785 3.219 5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.555 3.412 5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.556 4.579 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.881 4.819 3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.775 6.007 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.126 6.096 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.597 6.649 4.131 1.00 0.00 H new ATOM 1012 N SER A 69 -17.236 1.210 3.987 1.00 0.00 N ATOM 1013 CA SER A 69 -17.489 -0.040 3.279 1.00 0.00 C ATOM 1014 C SER A 69 -17.077 0.072 1.815 1.00 0.00 C ATOM 1015 O SER A 69 -17.743 -0.461 0.927 1.00 0.00 O ATOM 1016 CB SER A 69 -18.968 -0.416 3.378 1.00 0.00 C ATOM 1017 OG SER A 69 -19.209 -1.694 2.816 1.00 0.00 O ATOM 0 H SER A 69 -16.525 1.146 4.715 1.00 0.00 H new ATOM 0 HA SER A 69 -16.891 -0.822 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.278 -0.411 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.571 0.331 2.862 1.00 0.00 H new ATOM 0 HG SER A 69 -18.855 -1.722 1.903 1.00 0.00 H new ATOM 1023 N THR A 70 -15.973 0.771 1.568 1.00 0.00 N ATOM 1024 CA THR A 70 -15.471 0.955 0.212 1.00 0.00 C ATOM 1025 C THR A 70 -14.110 0.293 0.035 1.00 0.00 C ATOM 1026 O THR A 70 -13.156 0.614 0.743 1.00 0.00 O ATOM 1027 CB THR A 70 -15.354 2.448 -0.145 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.654 3.049 -0.175 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.675 2.630 -1.494 1.00 0.00 C ATOM 0 H THR A 70 -15.409 1.219 2.290 1.00 0.00 H new ATOM 0 HA THR A 70 -16.190 0.484 -0.458 1.00 0.00 H new ATOM 0 HB THR A 70 -14.747 2.934 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.707 3.676 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.604 3.693 -1.725 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.675 2.198 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.259 2.129 -2.266 1.00 0.00 H new ATOM 1037 N SER A 71 -14.026 -0.633 -0.915 1.00 0.00 N ATOM 1038 CA SER A 71 -12.781 -1.343 -1.184 1.00 0.00 C ATOM 1039 C SER A 71 -11.766 -0.424 -1.857 1.00 0.00 C ATOM 1040 O SER A 71 -12.108 0.344 -2.757 1.00 0.00 O ATOM 1041 CB SER A 71 -13.045 -2.564 -2.067 1.00 0.00 C ATOM 1042 OG SER A 71 -11.879 -3.358 -2.201 1.00 0.00 O ATOM 0 H SER A 71 -14.806 -0.909 -1.512 1.00 0.00 H new ATOM 0 HA SER A 71 -12.369 -1.676 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.848 -3.162 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.383 -2.239 -3.051 1.00 0.00 H new ATOM 0 HG SER A 71 -12.074 -4.133 -2.768 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.517 -0.508 -1.414 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.451 0.317 -1.971 1.00 0.00 C ATOM 1050 C TYR A 72 -8.245 -0.535 -2.353 1.00 0.00 C ATOM 1051 O TYR A 72 -8.025 -1.607 -1.789 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.033 1.393 -0.967 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.982 2.568 -0.908 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.811 3.667 -1.741 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.050 2.579 -0.020 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.675 4.743 -1.690 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.920 3.651 0.038 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.728 4.730 -0.799 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.592 5.800 -0.746 1.00 0.00 O ATOM 0 H TYR A 72 -10.217 -1.139 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.832 0.798 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.961 0.945 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.038 1.753 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.988 3.680 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.203 1.735 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.527 5.590 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.745 3.644 0.735 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.494 5.505 -0.992 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.466 -0.050 -3.315 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.282 -0.767 -3.773 1.00 0.00 C ATOM 1071 C ASN A 73 -5.040 0.114 -3.670 1.00 0.00 C ATOM 1072 O ASN A 73 -4.833 1.011 -4.487 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.470 -1.235 -5.217 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.620 -2.447 -5.548 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.542 -2.228 -6.291 1.00 0.00 O flip ATOM 1076 ND2 ASN A 73 -5.930 -3.566 -5.139 1.00 0.00 N flip ATOM 0 H ASN A 73 -7.634 0.836 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.144 -1.637 -3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.520 -1.475 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.217 -0.421 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.768 -3.687 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.349 -4.372 -5.369 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.216 -0.150 -2.661 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.994 0.616 -2.452 1.00 0.00 C ATOM 1085 C ALA A 74 -1.807 -0.046 -3.144 1.00 0.00 C ATOM 1086 O ALA A 74 -1.844 -1.235 -3.459 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.718 0.776 -0.965 1.00 0.00 C ATOM 0 H ALA A 74 -4.373 -0.889 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.134 1.603 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.802 1.350 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.550 1.300 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.603 -0.207 -0.508 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.755 0.733 -3.379 1.00 0.00 N ATOM 1094 CA ARG A 75 0.442 0.222 -4.035 1.00 0.00 C ATOM 1095 C ARG A 75 1.692 0.918 -3.504 1.00 0.00 C ATOM 1096 O ARG A 75 1.728 2.143 -3.378 1.00 0.00 O ATOM 1097 CB ARG A 75 0.342 0.416 -5.549 1.00 0.00 C ATOM 1098 CG ARG A 75 1.574 -0.050 -6.306 1.00 0.00 C ATOM 1099 CD ARG A 75 1.494 0.314 -7.780 1.00 0.00 C ATOM 1100 NE ARG A 75 1.491 1.760 -7.988 1.00 0.00 N ATOM 1101 CZ ARG A 75 1.057 2.342 -9.100 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.592 1.605 -10.100 1.00 0.00 N ATOM 1103 NH2 ARG A 75 1.087 3.663 -9.214 1.00 0.00 N ATOM 0 H ARG A 75 -0.708 1.720 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 75 0.519 -0.843 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.528 -0.126 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.174 1.472 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.464 0.401 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.679 -1.130 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.340 -0.126 -8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.590 -0.116 -8.211 1.00 0.00 H new ATOM 0 HE ARG A 75 1.842 2.355 -7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.567 0.589 -10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.259 2.054 -10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.444 4.233 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.753 4.109 -10.069 1.00 0.00 H new ATOM 1117 N LEU A 76 2.715 0.129 -3.193 1.00 0.00 N ATOM 1118 CA LEU A 76 3.967 0.669 -2.675 1.00 0.00 C ATOM 1119 C LEU A 76 5.083 0.542 -3.707 1.00 0.00 C ATOM 1120 O LEU A 76 5.581 -0.554 -3.965 1.00 0.00 O ATOM 1121 CB LEU A 76 4.363 -0.055 -1.387 1.00 0.00 C ATOM 1122 CG LEU A 76 5.296 0.709 -0.448 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.555 1.853 0.227 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.892 -0.230 0.592 1.00 0.00 C ATOM 0 H LEU A 76 2.702 -0.886 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 76 3.816 1.727 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.454 -0.304 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.842 -0.997 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 76 6.110 1.129 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.235 2.385 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.177 2.539 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.721 1.455 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.554 0.331 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.090 -0.679 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.459 -1.015 0.091 1.00 0.00 H new ATOM 1136 N GLN A 77 5.472 1.670 -4.293 1.00 0.00 N ATOM 1137 CA GLN A 77 6.531 1.684 -5.295 1.00 0.00 C ATOM 1138 C GLN A 77 7.639 2.656 -4.903 1.00 0.00 C ATOM 1139 O GLN A 77 7.394 3.847 -4.714 1.00 0.00 O ATOM 1140 CB GLN A 77 5.961 2.066 -6.663 1.00 0.00 C ATOM 1141 CG GLN A 77 6.711 1.442 -7.829 1.00 0.00 C ATOM 1142 CD GLN A 77 6.487 2.186 -9.131 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.098 3.354 -9.133 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.732 1.511 -10.248 1.00 0.00 N ATOM 0 H GLN A 77 5.070 2.585 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 77 6.956 0.682 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.915 1.762 -6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.982 3.151 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.777 1.425 -7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.394 0.406 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.053 0.544 -10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.599 1.959 -11.154 1.00 0.00 H new ATOM 1153 N ALA A 78 8.857 2.139 -4.782 1.00 0.00 N ATOM 1154 CA ALA A 78 10.003 2.962 -4.414 1.00 0.00 C ATOM 1155 C ALA A 78 10.825 3.338 -5.642 1.00 0.00 C ATOM 1156 O ALA A 78 10.969 2.544 -6.572 1.00 0.00 O ATOM 1157 CB ALA A 78 10.870 2.234 -3.398 1.00 0.00 C ATOM 0 H ALA A 78 9.076 1.154 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 78 9.630 3.882 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.722 2.860 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.283 2.021 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.227 1.298 -3.828 1.00 0.00 H new ATOM 1163 N MET A 79 11.363 4.553 -5.638 1.00 0.00 N ATOM 1164 CA MET A 79 12.172 5.034 -6.753 1.00 0.00 C ATOM 1165 C MET A 79 13.631 4.623 -6.582 1.00 0.00 C ATOM 1166 O MET A 79 14.273 4.976 -5.593 1.00 0.00 O ATOM 1167 CB MET A 79 12.069 6.556 -6.867 1.00 0.00 C ATOM 1168 CG MET A 79 10.641 7.075 -6.804 1.00 0.00 C ATOM 1169 SD MET A 79 10.523 8.832 -7.191 1.00 0.00 S ATOM 1170 CE MET A 79 9.869 9.474 -5.652 1.00 0.00 C ATOM 0 H MET A 79 11.254 5.222 -4.876 1.00 0.00 H new ATOM 0 HA MET A 79 11.790 4.582 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.648 7.012 -6.064 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.521 6.873 -7.807 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.022 6.511 -7.502 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.238 6.899 -5.807 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.350 10.414 -5.841 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.171 8.754 -5.225 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.687 9.645 -4.952 1.00 0.00 H new ATOM 1180 N TRP A 80 14.147 3.876 -7.551 1.00 0.00 N ATOM 1181 CA TRP A 80 15.531 3.417 -7.507 1.00 0.00 C ATOM 1182 C TRP A 80 16.310 3.919 -8.718 1.00 0.00 C ATOM 1183 O TRP A 80 15.729 4.224 -9.759 1.00 0.00 O ATOM 1184 CB TRP A 80 15.582 1.890 -7.450 1.00 0.00 C ATOM 1185 CG TRP A 80 15.478 1.343 -6.059 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.494 1.198 -5.158 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.293 0.868 -5.410 1.00 0.00 C ATOM 1188 NE1 TRP A 80 16.012 0.661 -3.988 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.665 0.450 -4.118 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.954 0.757 -5.795 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.745 -0.071 -3.211 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.043 0.240 -4.895 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.441 -0.168 -3.615 1.00 0.00 C ATOM 0 H TRP A 80 13.629 3.575 -8.376 1.00 0.00 H new ATOM 0 HA TRP A 80 15.993 3.823 -6.607 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.770 1.484 -8.054 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.515 1.548 -7.898 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.525 1.466 -5.338 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.567 0.453 -3.158 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.637 1.070 -6.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.050 -0.387 -2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.006 0.149 -5.183 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.704 -0.567 -2.934 1.00 0.00 H new ATOM 1204 N GLY A 81 17.629 4.003 -8.575 1.00 0.00 N ATOM 1205 CA GLY A 81 18.465 4.469 -9.666 1.00 0.00 C ATOM 1206 C GLY A 81 17.977 3.988 -11.017 1.00 0.00 C ATOM 1207 O GLY A 81 18.066 2.801 -11.329 1.00 0.00 O ATOM 0 H GLY A 81 18.134 3.757 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.491 5.559 -9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.487 4.125 -9.509 1.00 0.00 H new ATOM 1211 N GLN A 82 17.458 4.911 -11.820 1.00 0.00 N ATOM 1212 CA GLN A 82 16.951 4.573 -13.145 1.00 0.00 C ATOM 1213 C GLN A 82 16.259 3.213 -13.133 1.00 0.00 C ATOM 1214 O GLN A 82 16.471 2.390 -14.023 1.00 0.00 O ATOM 1215 CB GLN A 82 18.091 4.568 -14.165 1.00 0.00 C ATOM 1216 CG GLN A 82 18.554 5.960 -14.566 1.00 0.00 C ATOM 1217 CD GLN A 82 19.176 5.992 -15.948 1.00 0.00 C ATOM 1218 OE1 GLN A 82 18.574 5.542 -16.923 1.00 0.00 O ATOM 1219 NE2 GLN A 82 20.389 6.526 -16.039 1.00 0.00 N ATOM 0 H GLN A 82 17.377 5.898 -11.577 1.00 0.00 H new ATOM 0 HA GLN A 82 16.221 5.330 -13.430 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.936 4.018 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.768 4.031 -15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.705 6.643 -14.538 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.279 6.322 -13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 82 20.851 6.887 -15.204 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.858 6.575 -16.943 1.00 0.00 H new ATOM 1228 N SER A 83 15.432 2.985 -12.117 1.00 0.00 N ATOM 1229 CA SER A 83 14.712 1.724 -11.987 1.00 0.00 C ATOM 1230 C SER A 83 13.492 1.886 -11.086 1.00 0.00 C ATOM 1231 O SER A 83 13.473 2.734 -10.193 1.00 0.00 O ATOM 1232 CB SER A 83 15.635 0.641 -11.424 1.00 0.00 C ATOM 1233 OG SER A 83 16.559 0.199 -12.404 1.00 0.00 O ATOM 0 H SER A 83 15.244 3.657 -11.373 1.00 0.00 H new ATOM 0 HA SER A 83 14.373 1.424 -12.978 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.174 1.031 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.040 -0.202 -11.074 1.00 0.00 H new ATOM 0 HG SER A 83 16.585 0.842 -13.143 1.00 0.00 H new ATOM 1239 N LEU A 84 12.474 1.067 -11.327 1.00 0.00 N ATOM 1240 CA LEU A 84 11.248 1.118 -10.538 1.00 0.00 C ATOM 1241 C LEU A 84 10.832 -0.279 -10.088 1.00 0.00 C ATOM 1242 O LEU A 84 9.888 -0.860 -10.624 1.00 0.00 O ATOM 1243 CB LEU A 84 10.122 1.761 -11.350 1.00 0.00 C ATOM 1244 CG LEU A 84 10.295 3.243 -11.681 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.317 3.666 -12.767 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.110 4.094 -10.433 1.00 0.00 C ATOM 0 H LEU A 84 12.473 0.360 -12.062 1.00 0.00 H new ATOM 0 HA LEU A 84 11.440 1.723 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.015 1.211 -12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.189 1.639 -10.800 1.00 0.00 H new ATOM 0 HG LEU A 84 11.308 3.396 -12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.455 4.724 -12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.498 3.080 -13.668 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.296 3.498 -12.423 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.237 5.146 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.110 3.936 -10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.851 3.810 -9.686 1.00 0.00 H new ATOM 1258 N LEU A 85 11.540 -0.811 -9.098 1.00 0.00 N ATOM 1259 CA LEU A 85 11.243 -2.139 -8.573 1.00 0.00 C ATOM 1260 C LEU A 85 9.741 -2.404 -8.580 1.00 0.00 C ATOM 1261 O LEU A 85 8.924 -1.487 -8.503 1.00 0.00 O ATOM 1262 CB LEU A 85 11.791 -2.281 -7.151 1.00 0.00 C ATOM 1263 CG LEU A 85 13.294 -2.056 -6.986 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.719 -2.322 -5.550 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.075 -2.942 -7.946 1.00 0.00 C ATOM 0 H LEU A 85 12.324 -0.343 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 85 11.726 -2.874 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.265 -1.575 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.552 -3.281 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 85 13.514 -1.015 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.792 -2.157 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.185 -1.647 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.485 -3.353 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.143 -2.768 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.850 -3.988 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.793 -2.705 -8.972 1.00 0.00 H new ATOM 1277 N PRO A 86 9.367 -3.689 -8.673 1.00 0.00 N ATOM 1278 CA PRO A 86 7.962 -4.105 -8.690 1.00 0.00 C ATOM 1279 C PRO A 86 7.282 -3.903 -7.340 1.00 0.00 C ATOM 1280 O PRO A 86 7.612 -4.553 -6.348 1.00 0.00 O ATOM 1281 CB PRO A 86 8.038 -5.595 -9.033 1.00 0.00 C ATOM 1282 CG PRO A 86 9.388 -6.022 -8.571 1.00 0.00 C ATOM 1283 CD PRO A 86 10.288 -4.834 -8.768 1.00 0.00 C ATOM 0 HA PRO A 86 7.372 -3.521 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.251 -6.158 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.915 -5.762 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.365 -6.324 -7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.743 -6.880 -9.143 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.066 -4.788 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.791 -4.866 -9.735 1.00 0.00 H new ATOM 1291 N PRO A 87 6.308 -2.982 -7.300 1.00 0.00 N ATOM 1292 CA PRO A 87 5.560 -2.674 -6.077 1.00 0.00 C ATOM 1293 C PRO A 87 4.634 -3.812 -5.662 1.00 0.00 C ATOM 1294 O PRO A 87 4.564 -4.844 -6.329 1.00 0.00 O ATOM 1295 CB PRO A 87 4.745 -1.436 -6.462 1.00 0.00 C ATOM 1296 CG PRO A 87 4.601 -1.523 -7.942 1.00 0.00 C ATOM 1297 CD PRO A 87 5.862 -2.170 -8.444 1.00 0.00 C ATOM 0 HA PRO A 87 6.220 -2.519 -5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.773 -1.433 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.255 -0.519 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.725 -2.112 -8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.469 -0.534 -8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.675 -2.785 -9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.609 -1.428 -8.726 1.00 0.00 H new ATOM 1305 N VAL A 88 3.924 -3.617 -4.555 1.00 0.00 N ATOM 1306 CA VAL A 88 3.001 -4.627 -4.051 1.00 0.00 C ATOM 1307 C VAL A 88 1.590 -4.066 -3.921 1.00 0.00 C ATOM 1308 O VAL A 88 1.361 -3.094 -3.202 1.00 0.00 O ATOM 1309 CB VAL A 88 3.454 -5.169 -2.682 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.433 -6.319 -2.860 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.072 -4.057 -1.848 1.00 0.00 C ATOM 0 H VAL A 88 3.970 -2.769 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 88 3.000 -5.443 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 88 2.579 -5.547 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.742 -6.689 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.952 -7.123 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.308 -5.970 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.387 -4.457 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.937 -3.648 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.336 -3.268 -1.691 1.00 0.00 H new ATOM 1321 N SER A 89 0.645 -4.686 -4.622 1.00 0.00 N ATOM 1322 CA SER A 89 -0.745 -4.246 -4.588 1.00 0.00 C ATOM 1323 C SER A 89 -1.565 -5.111 -3.636 1.00 0.00 C ATOM 1324 O SER A 89 -1.511 -6.340 -3.692 1.00 0.00 O ATOM 1325 CB SER A 89 -1.352 -4.296 -5.992 1.00 0.00 C ATOM 1326 OG SER A 89 -1.566 -5.634 -6.408 1.00 0.00 O ATOM 0 H SER A 89 0.817 -5.494 -5.220 1.00 0.00 H new ATOM 0 HA SER A 89 -0.767 -3.218 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.297 -3.753 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.688 -3.795 -6.697 1.00 0.00 H new ATOM 0 HG SER A 89 -1.460 -6.236 -5.642 1.00 0.00 H new ATOM 1332 N THR A 90 -2.325 -4.460 -2.761 1.00 0.00 N ATOM 1333 CA THR A 90 -3.156 -5.168 -1.795 1.00 0.00 C ATOM 1334 C THR A 90 -4.546 -4.548 -1.708 1.00 0.00 C ATOM 1335 O THR A 90 -4.701 -3.331 -1.811 1.00 0.00 O ATOM 1336 CB THR A 90 -2.515 -5.164 -0.394 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.190 -6.100 0.455 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.575 -3.776 0.225 1.00 0.00 C ATOM 0 H THR A 90 -2.382 -3.443 -2.701 1.00 0.00 H new ATOM 0 HA THR A 90 -3.241 -6.197 -2.144 1.00 0.00 H new ATOM 0 HB THR A 90 -1.469 -5.454 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.776 -6.093 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.116 -3.798 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.037 -3.071 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.615 -3.462 0.314 1.00 0.00 H new ATOM 1346 N SER A 91 -5.554 -5.393 -1.516 1.00 0.00 N ATOM 1347 CA SER A 91 -6.933 -4.928 -1.417 1.00 0.00 C ATOM 1348 C SER A 91 -7.423 -4.983 0.027 1.00 0.00 C ATOM 1349 O SER A 91 -7.169 -5.951 0.744 1.00 0.00 O ATOM 1350 CB SER A 91 -7.843 -5.773 -2.310 1.00 0.00 C ATOM 1351 OG SER A 91 -7.851 -7.127 -1.893 1.00 0.00 O ATOM 0 H SER A 91 -5.442 -6.403 -1.426 1.00 0.00 H new ATOM 0 HA SER A 91 -6.966 -3.892 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.857 -5.374 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.504 -5.710 -3.344 1.00 0.00 H new ATOM 0 HG SER A 91 -8.441 -7.646 -2.478 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.126 -3.937 0.446 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.652 -3.864 1.804 1.00 0.00 C ATOM 1359 C PHE A 92 -9.988 -3.127 1.832 1.00 0.00 C ATOM 1360 O PHE A 92 -10.171 -2.123 1.142 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.651 -3.163 2.725 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.458 -1.708 2.404 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.646 -1.320 1.351 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -8.088 -0.730 3.156 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.467 0.018 1.052 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.913 0.609 2.862 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.100 0.984 1.810 1.00 0.00 C ATOM 0 H PHE A 92 -8.345 -3.128 -0.135 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.811 -4.882 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.991 -3.257 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.690 -3.672 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.147 -2.071 0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.723 -1.017 3.981 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.833 0.308 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.412 1.362 3.454 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.960 2.030 1.581 1.00 0.00 H new ATOM 1377 N THR A 93 -10.919 -3.632 2.635 1.00 0.00 N ATOM 1378 CA THR A 93 -12.239 -3.024 2.752 1.00 0.00 C ATOM 1379 C THR A 93 -12.399 -2.311 4.090 1.00 0.00 C ATOM 1380 O THR A 93 -11.980 -2.819 5.131 1.00 0.00 O ATOM 1381 CB THR A 93 -13.356 -4.074 2.606 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.208 -4.778 1.368 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.727 -3.417 2.660 1.00 0.00 C ATOM 0 H THR A 93 -10.784 -4.461 3.214 1.00 0.00 H new ATOM 0 HA THR A 93 -12.325 -2.298 1.944 1.00 0.00 H new ATOM 0 HB THR A 93 -13.274 -4.777 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.921 -5.445 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.500 -4.178 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.848 -2.906 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.817 -2.695 1.849 1.00 0.00 H new ATOM 1391 N THR A 94 -13.009 -1.130 4.057 1.00 0.00 N ATOM 1392 CA THR A 94 -13.224 -0.347 5.267 1.00 0.00 C ATOM 1393 C THR A 94 -14.474 -0.810 6.006 1.00 0.00 C ATOM 1394 O THR A 94 -15.335 -1.477 5.434 1.00 0.00 O ATOM 1395 CB THR A 94 -13.355 1.154 4.949 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.409 1.364 4.003 1.00 0.00 O ATOM 1397 CG2 THR A 94 -12.051 1.705 4.393 1.00 0.00 C ATOM 0 H THR A 94 -13.363 -0.695 3.205 1.00 0.00 H new ATOM 0 HA THR A 94 -12.352 -0.501 5.902 1.00 0.00 H new ATOM 0 HB THR A 94 -13.588 1.680 5.875 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.756 2.276 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.168 2.767 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.257 1.570 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.793 1.174 3.477 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.569 -0.450 7.283 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.719 -0.836 8.079 1.00 0.00 C ATOM 1407 C GLY A 95 -16.957 -0.029 7.740 1.00 0.00 C ATOM 1408 O GLY A 95 -17.061 0.533 6.651 1.00 0.00 O ATOM 0 H GLY A 95 -13.870 0.102 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.926 -1.895 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.484 -0.709 9.136 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.900 0.026 8.676 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.125 0.771 8.451 1.00 0.00 C ATOM 1414 C GLY A 96 -19.393 1.789 9.542 1.00 0.00 C ATOM 1415 O GLY A 96 -19.177 1.516 10.724 1.00 0.00 O ATOM 0 H GLY A 96 -17.837 -0.432 9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -19.065 1.281 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.963 0.077 8.392 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.863 2.967 9.147 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.160 4.031 10.100 1.00 0.00 C ATOM 1421 C LEU A 97 -21.217 3.583 11.104 1.00 0.00 C ATOM 1422 O LEU A 97 -22.403 3.873 10.943 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.638 5.283 9.363 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.557 6.097 8.650 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.183 7.219 7.837 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.560 6.655 9.656 1.00 0.00 C ATOM 0 H LEU A 97 -20.047 3.210 8.173 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.245 4.264 10.644 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.384 4.984 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.140 5.933 10.080 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.022 5.437 7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.399 7.787 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.856 6.796 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.743 7.879 8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.798 7.231 9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.080 7.300 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.087 5.833 10.194 1.00 0.00 H new