USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 27 THR OG1 : rot 80:sc= -3.3! USER MOD Set 1.2: A 28 SER OG : rot 106:sc= -1.65! USER MOD Set 2.1: A 13 THR OG1 : rot -60:sc= -0.491 USER MOD Set 2.2: A 144 SER OG : rot -156:sc= -3.77! USER MOD Set 2.3: A 145 GLN : amide:sc= -14.7! C(o=-19!,f=-17!) USER MOD Single : A 12 HIS : no HD1:sc= -2.2! K(o=-2.2!,f=-1.7) USER MOD Single : A 14 SER OG : rot -58:sc= 0.141! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 32:sc= 0.584 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -152:sc= -3.66! (180deg=-4.98!) USER MOD Single : A 45 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.5!) USER MOD Single : A 47 ASN : amide:sc= -4.36! K(o=-4.4!,f=-2.2) USER MOD Single : A 55 TYR OH : rot -119:sc= 0.00592 USER MOD Single : A 56 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.73) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 119:sc= 0.474 USER MOD Single : A 69 SER OG : rot 52:sc= 0.0405 USER MOD Single : A 71 THR OG1 : rot 26:sc= -9.87! USER MOD Single : A 73 SER OG : rot 23:sc= 0.766 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 78 MET CE :methyl 177:sc= 0 (180deg=-0.00822) USER MOD Single : A 93 THR OG1 : rot 158:sc= -0.472! USER MOD Single : A 97 GLN : amide:sc= -0.752 K(o=-0.75,f=-0.11) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 76:sc= -0.217! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0692 USER MOD Single : A 111 TYR OH : rot 7:sc= -4.83! USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 115 SER OG : rot 54:sc= -0.838! USER MOD Single : A 116 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.7!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -5.36! C(o=-5.4!,f=-6.2!) USER MOD Single : A 132 HIS : no HD1:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : A 135 LYS NZ :NH3+ -109:sc= -0.627 (180deg=-3.09!) USER MOD Single : A 139 TYR OH : rot 7:sc= -5.98! USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 106:sc= -0.806! USER MOD Single : A 150 THR OG1 : rot 5:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.203 -8.665 -10.643 1.00 2.11 N ATOM 82 CA VAL A 7 -13.010 -7.660 -11.390 1.00 2.12 C ATOM 83 C VAL A 7 -12.071 -6.675 -12.085 1.00 2.11 C ATOM 84 O VAL A 7 -12.442 -5.562 -12.401 1.00 2.83 O ATOM 85 CB VAL A 7 -13.925 -6.910 -10.419 1.00 2.16 C ATOM 86 CG1 VAL A 7 -13.175 -5.719 -9.822 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.162 -6.410 -11.169 1.00 2.42 C ATOM 0 HA VAL A 7 -13.623 -8.165 -12.137 1.00 2.12 H new ATOM 0 HB VAL A 7 -14.231 -7.582 -9.617 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -13.829 -5.187 -9.131 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -12.294 -6.075 -9.287 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -12.867 -5.045 -10.622 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.815 -5.876 -10.479 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.855 -5.739 -11.971 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -15.699 -7.259 -11.592 1.00 2.42 H new ATOM 97 N GLU A 8 -10.861 -7.096 -12.325 1.00 1.96 N ATOM 98 CA GLU A 8 -9.860 -6.223 -13.006 1.00 2.32 C ATOM 99 C GLU A 8 -10.210 -4.745 -12.810 1.00 2.30 C ATOM 100 O GLU A 8 -10.515 -4.043 -13.754 1.00 2.59 O ATOM 101 CB GLU A 8 -9.841 -6.544 -14.501 1.00 3.06 C ATOM 102 CG GLU A 8 -8.686 -5.796 -15.169 1.00 3.55 C ATOM 103 CD GLU A 8 -9.083 -5.409 -16.595 1.00 4.20 C ATOM 104 OE1 GLU A 8 -10.097 -4.749 -16.748 1.00 4.42 O ATOM 105 OE2 GLU A 8 -8.366 -5.781 -17.510 1.00 4.75 O ATOM 0 H GLU A 8 -10.516 -8.023 -12.075 1.00 1.96 H new ATOM 0 HA GLU A 8 -8.879 -6.411 -12.571 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.728 -7.618 -14.652 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -10.788 -6.255 -14.958 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -8.437 -4.904 -14.595 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.795 -6.423 -15.186 1.00 3.55 H new ATOM 112 N LEU A 9 -10.161 -4.261 -11.599 1.00 2.76 N ATOM 113 CA LEU A 9 -10.480 -2.826 -11.364 1.00 3.48 C ATOM 114 C LEU A 9 -9.564 -1.966 -12.238 1.00 3.43 C ATOM 115 O LEU A 9 -10.007 -1.080 -12.941 1.00 4.12 O ATOM 116 CB LEU A 9 -10.249 -2.487 -9.891 1.00 3.72 C ATOM 117 CG LEU A 9 -11.538 -2.720 -9.102 1.00 4.22 C ATOM 118 CD1 LEU A 9 -11.289 -2.436 -7.619 1.00 4.95 C ATOM 119 CD2 LEU A 9 -12.631 -1.783 -9.621 1.00 3.49 C ATOM 0 H LEU A 9 -9.915 -4.795 -10.766 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.522 -2.631 -11.617 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -9.447 -3.105 -9.487 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -9.933 -1.449 -9.792 1.00 3.72 H new ATOM 0 HG LEU A 9 -11.856 -3.755 -9.226 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -12.208 -2.602 -7.057 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -10.511 -3.102 -7.247 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -10.970 -1.401 -7.495 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -13.550 -1.949 -9.059 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -12.312 -0.748 -9.497 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -12.811 -1.984 -10.677 1.00 3.49 H new ATOM 131 N LEU A 10 -8.288 -2.236 -12.204 1.00 2.81 N ATOM 132 CA LEU A 10 -7.331 -1.455 -13.036 1.00 2.72 C ATOM 133 C LEU A 10 -6.974 -2.290 -14.270 1.00 2.86 C ATOM 134 O LEU A 10 -6.388 -3.348 -14.154 1.00 2.83 O ATOM 135 CB LEU A 10 -6.072 -1.169 -12.205 1.00 2.41 C ATOM 136 CG LEU A 10 -4.930 -0.640 -13.084 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.873 0.883 -12.987 1.00 1.99 C ATOM 138 CD2 LEU A 10 -3.606 -1.222 -12.582 1.00 2.07 C ATOM 0 H LEU A 10 -7.866 -2.968 -11.633 1.00 2.81 H new ATOM 0 HA LEU A 10 -7.771 -0.509 -13.351 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -6.304 -0.439 -11.429 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -5.752 -2.081 -11.700 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.100 -0.933 -14.120 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.062 1.257 -13.611 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.818 1.305 -13.329 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.698 1.175 -11.952 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -2.788 -0.852 -13.200 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -3.444 -0.919 -11.547 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -3.641 -2.310 -12.640 1.00 2.07 H new ATOM 150 N PRO A 11 -7.322 -1.828 -15.444 1.00 3.10 N ATOM 151 CA PRO A 11 -7.024 -2.561 -16.706 1.00 3.32 C ATOM 152 C PRO A 11 -5.552 -2.442 -17.102 1.00 2.96 C ATOM 153 O PRO A 11 -5.205 -2.512 -18.264 1.00 3.09 O ATOM 154 CB PRO A 11 -7.917 -1.880 -17.744 1.00 3.83 C ATOM 155 CG PRO A 11 -8.147 -0.499 -17.228 1.00 3.73 C ATOM 156 CD PRO A 11 -8.031 -0.563 -15.703 1.00 3.29 C ATOM 0 HA PRO A 11 -7.212 -3.630 -16.611 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.436 -1.858 -18.722 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.859 -2.416 -17.864 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -7.414 0.194 -17.641 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.131 -0.136 -17.525 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -7.478 0.290 -15.310 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.012 -0.553 -15.229 1.00 3.29 H new ATOM 164 N HIS A 12 -4.682 -2.265 -16.145 1.00 2.52 N ATOM 165 CA HIS A 12 -3.234 -2.143 -16.473 1.00 2.16 C ATOM 166 C HIS A 12 -2.414 -2.959 -15.474 1.00 1.83 C ATOM 167 O HIS A 12 -2.691 -2.972 -14.291 1.00 1.69 O ATOM 168 CB HIS A 12 -2.815 -0.672 -16.402 1.00 2.13 C ATOM 169 CG HIS A 12 -1.448 -0.511 -17.009 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.118 -1.049 -18.243 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.315 0.126 -16.564 1.00 1.81 C ATOM 172 CE1 HIS A 12 0.164 -0.730 -18.496 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.701 -0.014 -17.505 1.00 1.82 N ATOM 0 H HIS A 12 -4.911 -2.200 -15.153 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.057 -2.521 -17.480 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -3.536 -0.051 -16.934 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -2.807 -0.335 -15.366 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -0.226 0.655 -15.627 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.694 -1.018 -19.392 1.00 1.94 H new ATOM 0 HE2 HIS A 12 1.652 0.352 -17.450 1.00 1.82 H new ATOM 181 N THR A 13 -1.406 -3.644 -15.939 1.00 1.82 N ATOM 182 CA THR A 13 -0.570 -4.459 -15.014 1.00 1.56 C ATOM 183 C THR A 13 0.672 -4.954 -15.757 1.00 1.39 C ATOM 184 O THR A 13 0.955 -6.134 -15.801 1.00 1.58 O ATOM 185 CB THR A 13 -1.381 -5.658 -14.515 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.506 -6.745 -14.249 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.398 -6.070 -15.582 1.00 1.97 C ATOM 0 H THR A 13 -1.125 -3.675 -16.919 1.00 1.82 H new ATOM 0 HA THR A 13 -0.266 -3.849 -14.163 1.00 1.56 H new ATOM 0 HB THR A 13 -1.907 -5.383 -13.601 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.033 -6.992 -15.071 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.974 -6.924 -15.225 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.071 -5.237 -15.784 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.874 -6.344 -16.498 1.00 1.97 H new ATOM 195 N SER A 14 1.417 -4.057 -16.344 1.00 1.20 N ATOM 196 CA SER A 14 2.640 -4.473 -17.084 1.00 1.07 C ATOM 197 C SER A 14 3.526 -3.252 -17.337 1.00 1.04 C ATOM 198 O SER A 14 3.621 -2.762 -18.444 1.00 1.10 O ATOM 199 CB SER A 14 2.236 -5.096 -18.422 1.00 1.14 C ATOM 200 OG SER A 14 0.990 -5.761 -18.272 1.00 1.96 O ATOM 0 H SER A 14 1.231 -3.054 -16.342 1.00 1.20 H new ATOM 0 HA SER A 14 3.192 -5.204 -16.493 1.00 1.07 H new ATOM 0 HB2 SER A 14 2.160 -4.324 -19.188 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.999 -5.800 -18.754 1.00 1.14 H new ATOM 0 HG SER A 14 1.064 -6.440 -17.570 1.00 1.96 H new ATOM 206 N PHE A 15 4.177 -2.758 -16.320 1.00 1.01 N ATOM 207 CA PHE A 15 5.058 -1.571 -16.505 1.00 1.00 C ATOM 208 C PHE A 15 6.192 -1.940 -17.465 1.00 1.00 C ATOM 209 O PHE A 15 7.331 -1.563 -17.274 1.00 0.98 O ATOM 210 CB PHE A 15 5.647 -1.154 -15.154 1.00 0.98 C ATOM 211 CG PHE A 15 4.623 -0.383 -14.347 1.00 0.88 C ATOM 212 CD1 PHE A 15 3.254 -0.499 -14.632 1.00 1.11 C ATOM 213 CD2 PHE A 15 5.048 0.449 -13.302 1.00 1.74 C ATOM 214 CE1 PHE A 15 2.318 0.214 -13.875 1.00 1.14 C ATOM 215 CE2 PHE A 15 4.110 1.162 -12.545 1.00 1.76 C ATOM 216 CZ PHE A 15 2.745 1.045 -12.832 1.00 0.95 C ATOM 0 H PHE A 15 4.137 -3.125 -15.369 1.00 1.01 H new ATOM 0 HA PHE A 15 4.480 -0.743 -16.915 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.965 -2.037 -14.601 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.534 -0.540 -15.311 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.923 -1.139 -15.436 1.00 1.11 H new ATOM 0 HD2 PHE A 15 6.101 0.540 -13.080 1.00 1.74 H new ATOM 0 HE1 PHE A 15 1.265 0.123 -14.095 1.00 1.14 H new ATOM 0 HE2 PHE A 15 4.440 1.802 -11.740 1.00 1.76 H new ATOM 0 HZ PHE A 15 2.021 1.595 -12.249 1.00 0.95 H new ATOM 226 N ALA A 16 5.887 -2.685 -18.493 1.00 1.06 N ATOM 227 CA ALA A 16 6.940 -3.093 -19.465 1.00 1.09 C ATOM 228 C ALA A 16 7.328 -1.902 -20.344 1.00 1.10 C ATOM 229 O ALA A 16 8.494 -1.629 -20.553 1.00 1.18 O ATOM 230 CB ALA A 16 6.403 -4.220 -20.350 1.00 1.14 C ATOM 0 H ALA A 16 4.950 -3.030 -18.702 1.00 1.06 H new ATOM 0 HA ALA A 16 7.818 -3.438 -18.919 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.171 -4.521 -21.062 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.131 -5.073 -19.728 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.524 -3.870 -20.891 1.00 1.14 H new ATOM 236 N GLU A 17 6.365 -1.195 -20.865 1.00 1.15 N ATOM 237 CA GLU A 17 6.685 -0.029 -21.734 1.00 1.19 C ATOM 238 C GLU A 17 6.324 1.267 -21.005 1.00 1.29 C ATOM 239 O GLU A 17 7.159 1.896 -20.388 1.00 1.41 O ATOM 240 CB GLU A 17 5.878 -0.128 -23.027 1.00 1.32 C ATOM 241 CG GLU A 17 6.682 -0.902 -24.074 1.00 1.41 C ATOM 242 CD GLU A 17 5.743 -1.813 -24.869 1.00 1.67 C ATOM 243 OE1 GLU A 17 4.570 -1.491 -24.953 1.00 1.96 O ATOM 244 OE2 GLU A 17 6.214 -2.815 -25.380 1.00 2.13 O ATOM 0 H GLU A 17 5.370 -1.374 -20.727 1.00 1.15 H new ATOM 0 HA GLU A 17 7.750 -0.028 -21.966 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.929 -0.630 -22.838 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.643 0.869 -23.398 1.00 1.32 H new ATOM 0 HG2 GLU A 17 7.187 -0.208 -24.746 1.00 1.41 H new ATOM 0 HG3 GLU A 17 7.456 -1.496 -23.588 1.00 1.41 H new ATOM 251 N SER A 18 5.085 1.670 -21.071 1.00 1.41 N ATOM 252 CA SER A 18 4.675 2.925 -20.380 1.00 1.64 C ATOM 253 C SER A 18 4.123 2.587 -18.995 1.00 1.51 C ATOM 254 O SER A 18 3.456 1.588 -18.808 1.00 1.30 O ATOM 255 CB SER A 18 3.598 3.633 -21.199 1.00 2.02 C ATOM 256 OG SER A 18 4.161 4.091 -22.421 1.00 2.26 O ATOM 0 H SER A 18 4.340 1.186 -21.572 1.00 1.41 H new ATOM 0 HA SER A 18 5.540 3.580 -20.277 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.771 2.952 -21.399 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.190 4.473 -20.636 1.00 2.02 H new ATOM 0 HG SER A 18 3.471 4.544 -22.949 1.00 2.26 H new ATOM 262 N LEU A 19 4.394 3.412 -18.023 1.00 1.67 N ATOM 263 CA LEU A 19 3.885 3.138 -16.649 1.00 1.59 C ATOM 264 C LEU A 19 2.359 3.025 -16.681 1.00 1.72 C ATOM 265 O LEU A 19 1.741 2.586 -15.732 1.00 2.45 O ATOM 266 CB LEU A 19 4.291 4.282 -15.718 1.00 1.61 C ATOM 267 CG LEU A 19 3.884 5.619 -16.342 1.00 1.71 C ATOM 268 CD1 LEU A 19 2.535 6.060 -15.773 1.00 2.60 C ATOM 269 CD2 LEU A 19 4.943 6.674 -16.017 1.00 1.37 C ATOM 0 H LEU A 19 4.946 4.264 -18.120 1.00 1.67 H new ATOM 0 HA LEU A 19 4.310 2.203 -16.285 1.00 1.59 H new ATOM 0 HB2 LEU A 19 3.812 4.161 -14.746 1.00 1.61 H new ATOM 0 HB3 LEU A 19 5.367 4.261 -15.547 1.00 1.61 H new ATOM 0 HG LEU A 19 3.801 5.505 -17.423 1.00 1.71 H new ATOM 0 HD11 LEU A 19 2.246 7.012 -16.218 1.00 2.60 H new ATOM 0 HD12 LEU A 19 1.780 5.308 -16.003 1.00 2.60 H new ATOM 0 HD13 LEU A 19 2.616 6.174 -14.692 1.00 2.60 H new ATOM 0 HD21 LEU A 19 4.655 7.627 -16.461 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.025 6.787 -14.936 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.905 6.361 -16.423 1.00 1.37 H new ATOM 281 N GLY A 20 1.746 3.418 -17.764 1.00 1.44 N ATOM 282 CA GLY A 20 0.260 3.332 -17.851 1.00 1.58 C ATOM 283 C GLY A 20 -0.360 4.547 -17.157 1.00 1.59 C ATOM 284 O GLY A 20 0.196 5.626 -17.168 1.00 1.62 O ATOM 0 H GLY A 20 2.209 3.794 -18.591 1.00 1.44 H new ATOM 0 HA2 GLY A 20 -0.053 3.296 -18.895 1.00 1.58 H new ATOM 0 HA3 GLY A 20 -0.090 2.413 -17.381 1.00 1.58 H new ATOM 288 N PRO A 21 -1.507 4.371 -16.556 1.00 1.60 N ATOM 289 CA PRO A 21 -2.218 5.468 -15.845 1.00 1.60 C ATOM 290 C PRO A 21 -1.648 5.713 -14.445 1.00 1.43 C ATOM 291 O PRO A 21 -1.954 6.698 -13.803 1.00 1.67 O ATOM 292 CB PRO A 21 -3.657 4.962 -15.759 1.00 1.68 C ATOM 293 CG PRO A 21 -3.558 3.471 -15.768 1.00 1.70 C ATOM 294 CD PRO A 21 -2.255 3.105 -16.487 1.00 1.63 C ATOM 0 HA PRO A 21 -2.121 6.422 -16.363 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -4.144 5.317 -14.851 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -4.250 5.321 -16.600 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.558 3.080 -14.751 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.415 3.032 -16.279 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.699 2.344 -15.939 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.449 2.703 -17.482 1.00 1.63 H new ATOM 302 N TRP A 22 -0.820 4.824 -13.968 1.00 1.30 N ATOM 303 CA TRP A 22 -0.228 5.007 -12.613 1.00 1.15 C ATOM 304 C TRP A 22 0.700 6.224 -12.627 1.00 1.24 C ATOM 305 O TRP A 22 0.662 7.034 -13.532 1.00 1.48 O ATOM 306 CB TRP A 22 0.570 3.758 -12.233 1.00 1.19 C ATOM 307 CG TRP A 22 -0.368 2.673 -11.807 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.487 2.306 -12.472 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.292 1.816 -10.630 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.096 1.271 -11.785 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.400 0.936 -10.641 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.622 1.717 -9.567 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -1.593 -0.010 -9.631 1.00 1.97 C ATOM 314 CZ3 TRP A 22 0.431 0.769 -8.549 1.00 2.42 C ATOM 315 CH2 TRP A 22 -0.675 -0.092 -8.581 1.00 2.39 C ATOM 0 H TRP A 22 -0.528 3.979 -14.458 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.023 5.164 -11.884 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.167 3.424 -13.081 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.265 3.990 -11.426 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.846 2.748 -13.389 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -2.955 0.811 -12.087 1.00 1.52 H new ATOM 0 HE3 TRP A 22 1.478 2.375 -9.533 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.445 -0.673 -9.662 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 1.140 0.703 -7.737 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -0.817 -0.818 -7.794 1.00 2.39 H new ATOM 326 N SER A 23 1.535 6.359 -11.633 1.00 1.20 N ATOM 327 CA SER A 23 2.463 7.524 -11.595 1.00 1.36 C ATOM 328 C SER A 23 3.678 7.183 -10.730 1.00 1.28 C ATOM 329 O SER A 23 3.548 6.769 -9.595 1.00 1.33 O ATOM 330 CB SER A 23 1.739 8.734 -11.003 1.00 1.45 C ATOM 331 OG SER A 23 1.115 9.465 -12.049 1.00 1.64 O ATOM 0 H SER A 23 1.614 5.714 -10.847 1.00 1.20 H new ATOM 0 HA SER A 23 2.793 7.757 -12.607 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.994 8.407 -10.277 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.446 9.370 -10.470 1.00 1.45 H new ATOM 0 HG SER A 23 0.833 8.848 -12.756 1.00 1.64 H new ATOM 337 N LEU A 24 4.861 7.353 -11.256 1.00 1.31 N ATOM 338 CA LEU A 24 6.081 7.037 -10.462 1.00 1.25 C ATOM 339 C LEU A 24 6.950 8.290 -10.338 1.00 1.30 C ATOM 340 O LEU A 24 7.200 8.981 -11.306 1.00 1.47 O ATOM 341 CB LEU A 24 6.877 5.936 -11.161 1.00 1.40 C ATOM 342 CG LEU A 24 6.387 5.784 -12.600 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.370 4.906 -13.375 1.00 2.02 C ATOM 344 CD2 LEU A 24 5.006 5.126 -12.603 1.00 2.05 C ATOM 0 H LEU A 24 5.034 7.697 -12.201 1.00 1.31 H new ATOM 0 HA LEU A 24 5.786 6.698 -9.469 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.939 6.180 -11.152 1.00 1.40 H new ATOM 0 HB3 LEU A 24 6.761 4.994 -10.625 1.00 1.40 H new ATOM 0 HG LEU A 24 6.321 6.765 -13.070 1.00 1.44 H new ATOM 0 HD11 LEU A 24 7.025 4.794 -14.403 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.355 5.372 -13.371 1.00 2.02 H new ATOM 0 HD13 LEU A 24 7.431 3.925 -12.904 1.00 2.02 H new ATOM 0 HD21 LEU A 24 4.657 5.018 -13.630 1.00 2.05 H new ATOM 0 HD22 LEU A 24 5.070 4.143 -12.136 1.00 2.05 H new ATOM 0 HD23 LEU A 24 4.306 5.748 -12.045 1.00 2.05 H new ATOM 356 N TYR A 25 7.415 8.588 -9.156 1.00 1.23 N ATOM 357 CA TYR A 25 8.268 9.797 -8.974 1.00 1.38 C ATOM 358 C TYR A 25 8.721 9.891 -7.514 1.00 1.34 C ATOM 359 O TYR A 25 8.060 9.407 -6.617 1.00 1.42 O ATOM 360 CB TYR A 25 7.464 11.047 -9.338 1.00 1.72 C ATOM 361 CG TYR A 25 6.655 11.495 -8.143 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.001 10.550 -7.345 1.00 1.62 C ATOM 363 CD2 TYR A 25 6.560 12.858 -7.835 1.00 1.22 C ATOM 364 CE1 TYR A 25 5.252 10.966 -6.238 1.00 1.57 C ATOM 365 CE2 TYR A 25 5.811 13.274 -6.728 1.00 1.27 C ATOM 366 CZ TYR A 25 5.158 12.329 -5.930 1.00 1.08 C ATOM 367 OH TYR A 25 4.419 12.739 -4.839 1.00 1.63 O ATOM 0 H TYR A 25 7.242 8.047 -8.309 1.00 1.23 H new ATOM 0 HA TYR A 25 9.142 9.724 -9.621 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.136 11.845 -9.655 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.803 10.835 -10.178 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.074 9.499 -7.583 1.00 1.62 H new ATOM 0 HD2 TYR A 25 7.064 13.588 -8.451 1.00 1.22 H new ATOM 0 HE1 TYR A 25 4.747 10.237 -5.622 1.00 1.57 H new ATOM 0 HE2 TYR A 25 5.737 14.325 -6.490 1.00 1.27 H new ATOM 0 HH TYR A 25 4.458 13.715 -4.766 1.00 1.63 H new ATOM 377 N GLY A 26 9.840 10.515 -7.270 1.00 1.33 N ATOM 378 CA GLY A 26 10.330 10.647 -5.869 1.00 1.32 C ATOM 379 C GLY A 26 11.567 9.771 -5.664 1.00 1.25 C ATOM 380 O GLY A 26 12.365 10.010 -4.779 1.00 1.70 O ATOM 0 H GLY A 26 10.437 10.939 -7.980 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.572 11.688 -5.656 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.546 10.353 -5.171 1.00 1.32 H new ATOM 384 N THR A 27 11.739 8.757 -6.469 1.00 0.93 N ATOM 385 CA THR A 27 12.930 7.877 -6.302 1.00 0.90 C ATOM 386 C THR A 27 13.892 8.096 -7.474 1.00 0.92 C ATOM 387 O THR A 27 14.067 9.201 -7.949 1.00 0.97 O ATOM 388 CB THR A 27 12.464 6.414 -6.254 1.00 0.88 C ATOM 389 OG1 THR A 27 13.363 5.579 -6.967 1.00 0.73 O ATOM 390 CG2 THR A 27 11.069 6.301 -6.868 1.00 0.95 C ATOM 0 H THR A 27 11.110 8.501 -7.230 1.00 0.93 H new ATOM 0 HA THR A 27 13.450 8.117 -5.375 1.00 0.90 H new ATOM 0 HB THR A 27 12.437 6.091 -5.213 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.144 5.387 -6.408 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.739 5.263 -6.833 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.372 6.922 -6.305 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.099 6.638 -7.904 1.00 0.95 H new ATOM 398 N SER A 28 14.514 7.053 -7.945 1.00 1.12 N ATOM 399 CA SER A 28 15.461 7.193 -9.088 1.00 1.40 C ATOM 400 C SER A 28 14.706 6.989 -10.401 1.00 1.29 C ATOM 401 O SER A 28 13.833 6.149 -10.501 1.00 0.98 O ATOM 402 CB SER A 28 16.566 6.144 -8.965 1.00 1.80 C ATOM 403 OG SER A 28 15.988 4.892 -8.622 1.00 1.73 O ATOM 0 H SER A 28 14.408 6.104 -7.587 1.00 1.12 H new ATOM 0 HA SER A 28 15.904 8.189 -9.075 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.111 6.061 -9.905 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.287 6.445 -8.205 1.00 1.80 H new ATOM 0 HG SER A 28 15.996 4.303 -9.405 1.00 1.73 H new ATOM 409 N GLU A 29 15.034 7.745 -11.412 1.00 1.62 N ATOM 410 CA GLU A 29 14.334 7.583 -12.717 1.00 1.60 C ATOM 411 C GLU A 29 14.053 6.096 -12.958 1.00 1.23 C ATOM 412 O GLU A 29 14.933 5.352 -13.343 1.00 1.37 O ATOM 413 CB GLU A 29 15.224 8.120 -13.840 1.00 2.07 C ATOM 414 CG GLU A 29 16.691 7.845 -13.504 1.00 1.86 C ATOM 415 CD GLU A 29 17.509 7.786 -14.795 1.00 1.99 C ATOM 416 OE1 GLU A 29 16.904 7.705 -15.853 1.00 2.35 O ATOM 417 OE2 GLU A 29 18.725 7.821 -14.706 1.00 2.40 O ATOM 0 H GLU A 29 15.755 8.466 -11.391 1.00 1.62 H new ATOM 0 HA GLU A 29 13.395 8.136 -12.701 1.00 1.60 H new ATOM 0 HB2 GLU A 29 14.961 7.645 -14.785 1.00 2.07 H new ATOM 0 HB3 GLU A 29 15.063 9.191 -13.966 1.00 2.07 H new ATOM 0 HG2 GLU A 29 17.078 8.627 -12.851 1.00 1.86 H new ATOM 0 HG3 GLU A 29 16.780 6.904 -12.961 1.00 1.86 H new ATOM 424 N PRO A 30 12.840 5.662 -12.733 1.00 0.95 N ATOM 425 CA PRO A 30 12.452 4.236 -12.931 1.00 0.81 C ATOM 426 C PRO A 30 12.966 3.685 -14.262 1.00 0.80 C ATOM 427 O PRO A 30 13.305 4.429 -15.161 1.00 0.86 O ATOM 428 CB PRO A 30 10.924 4.270 -12.917 1.00 0.94 C ATOM 429 CG PRO A 30 10.559 5.475 -12.115 1.00 1.13 C ATOM 430 CD PRO A 30 11.705 6.478 -12.270 1.00 1.10 C ATOM 0 HA PRO A 30 12.876 3.586 -12.166 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.524 4.336 -13.929 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.515 3.363 -12.471 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.621 5.904 -12.468 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.415 5.212 -11.067 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.456 7.259 -12.989 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.930 6.974 -11.326 1.00 1.10 H new ATOM 438 N VAL A 31 13.036 2.388 -14.398 1.00 0.80 N ATOM 439 CA VAL A 31 13.539 1.811 -15.676 1.00 0.82 C ATOM 440 C VAL A 31 12.690 0.604 -16.085 1.00 0.78 C ATOM 441 O VAL A 31 12.902 -0.499 -15.620 1.00 0.84 O ATOM 442 CB VAL A 31 14.992 1.368 -15.493 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.044 0.146 -14.575 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.588 1.006 -16.855 1.00 1.05 C ATOM 0 H VAL A 31 12.769 1.709 -13.686 1.00 0.80 H new ATOM 0 HA VAL A 31 13.476 2.569 -16.456 1.00 0.82 H new ATOM 0 HB VAL A 31 15.565 2.181 -15.047 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.080 -0.168 -14.446 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.619 0.402 -13.605 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.471 -0.668 -15.019 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.623 0.690 -16.727 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.013 0.194 -17.299 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.553 1.876 -17.510 1.00 1.05 H new ATOM 454 N PHE A 32 11.744 0.803 -16.965 1.00 0.74 N ATOM 455 CA PHE A 32 10.896 -0.335 -17.425 1.00 0.77 C ATOM 456 C PHE A 32 11.686 -1.173 -18.430 1.00 0.87 C ATOM 457 O PHE A 32 11.579 -0.996 -19.628 1.00 1.19 O ATOM 458 CB PHE A 32 9.618 0.200 -18.077 1.00 0.78 C ATOM 459 CG PHE A 32 9.875 1.559 -18.684 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.131 1.870 -19.217 1.00 1.50 C ATOM 461 CD2 PHE A 32 8.847 2.510 -18.711 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.359 3.133 -19.777 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.075 3.772 -19.271 1.00 1.82 C ATOM 464 CZ PHE A 32 10.332 4.085 -19.805 1.00 1.56 C ATOM 0 H PHE A 32 11.522 1.706 -17.385 1.00 0.74 H new ATOM 0 HA PHE A 32 10.620 -0.955 -16.572 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.276 -0.492 -18.847 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.823 0.269 -17.334 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.924 1.137 -19.196 1.00 1.50 H new ATOM 0 HD2 PHE A 32 7.878 2.269 -18.299 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.328 3.373 -20.188 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.282 4.505 -19.292 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.509 5.059 -20.237 1.00 1.56 H new ATOM 474 N ALA A 33 12.488 -2.081 -17.945 1.00 0.77 N ATOM 475 CA ALA A 33 13.300 -2.930 -18.862 1.00 0.84 C ATOM 476 C ALA A 33 12.384 -3.650 -19.854 1.00 0.67 C ATOM 477 O ALA A 33 11.428 -3.089 -20.352 1.00 0.92 O ATOM 478 CB ALA A 33 14.074 -3.966 -18.042 1.00 1.17 C ATOM 0 H ALA A 33 12.616 -2.272 -16.951 1.00 0.77 H new ATOM 0 HA ALA A 33 13.998 -2.298 -19.412 1.00 0.84 H new ATOM 0 HB1 ALA A 33 14.669 -4.588 -18.710 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.733 -3.456 -17.339 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.372 -4.593 -17.492 1.00 1.17 H new ATOM 484 N ASP A 34 12.674 -4.888 -20.147 1.00 0.77 N ATOM 485 CA ASP A 34 11.826 -5.646 -21.109 1.00 0.85 C ATOM 486 C ASP A 34 10.387 -5.693 -20.596 1.00 0.84 C ATOM 487 O ASP A 34 9.472 -5.220 -21.241 1.00 0.99 O ATOM 488 CB ASP A 34 12.365 -7.071 -21.250 1.00 1.13 C ATOM 489 CG ASP A 34 13.755 -7.158 -20.618 1.00 1.54 C ATOM 490 OD1 ASP A 34 14.523 -6.227 -20.794 1.00 1.78 O ATOM 491 OD2 ASP A 34 14.028 -8.153 -19.967 1.00 2.21 O ATOM 0 H ASP A 34 13.462 -5.408 -19.761 1.00 0.77 H new ATOM 0 HA ASP A 34 11.848 -5.151 -22.080 1.00 0.85 H new ATOM 0 HB2 ASP A 34 11.689 -7.776 -20.766 1.00 1.13 H new ATOM 0 HB3 ASP A 34 12.415 -7.349 -22.303 1.00 1.13 H new ATOM 496 N GLY A 35 10.177 -6.263 -19.442 1.00 0.84 N ATOM 497 CA GLY A 35 8.794 -6.341 -18.893 1.00 1.02 C ATOM 498 C GLY A 35 8.826 -6.120 -17.379 1.00 0.90 C ATOM 499 O GLY A 35 8.220 -6.855 -16.625 1.00 1.19 O ATOM 0 H GLY A 35 10.902 -6.678 -18.856 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.162 -5.590 -19.366 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.357 -7.314 -19.119 1.00 1.02 H new ATOM 503 N ARG A 36 9.523 -5.114 -16.929 1.00 0.66 N ATOM 504 CA ARG A 36 9.584 -4.852 -15.463 1.00 0.63 C ATOM 505 C ARG A 36 10.208 -3.480 -15.209 1.00 0.62 C ATOM 506 O ARG A 36 11.050 -3.022 -15.954 1.00 0.68 O ATOM 507 CB ARG A 36 10.438 -5.920 -14.781 1.00 0.70 C ATOM 508 CG ARG A 36 11.668 -6.220 -15.640 1.00 1.16 C ATOM 509 CD ARG A 36 12.866 -6.517 -14.734 1.00 1.40 C ATOM 510 NE ARG A 36 13.675 -5.278 -14.560 1.00 2.02 N ATOM 511 CZ ARG A 36 14.564 -5.208 -13.607 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.745 -6.223 -12.807 1.00 2.28 N ATOM 513 NH2 ARG A 36 15.273 -4.123 -13.454 1.00 2.91 N ATOM 0 H ARG A 36 10.052 -4.464 -17.510 1.00 0.66 H new ATOM 0 HA ARG A 36 8.572 -4.877 -15.058 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.747 -5.577 -13.793 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.854 -6.828 -14.635 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.471 -7.072 -16.291 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.889 -5.370 -16.286 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.522 -6.879 -13.765 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.479 -7.306 -15.170 1.00 1.40 H new ATOM 0 HE ARG A 36 13.534 -4.485 -15.185 1.00 2.02 H new ATOM 0 HH11 ARG A 36 14.192 -7.071 -12.926 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.440 -6.168 -12.062 1.00 2.28 H new ATOM 0 HH21 ARG A 36 15.132 -3.329 -14.079 1.00 2.91 H new ATOM 0 HH22 ARG A 36 15.968 -4.069 -12.709 1.00 2.91 H new ATOM 527 N MET A 37 9.806 -2.827 -14.154 1.00 0.63 N ATOM 528 CA MET A 37 10.380 -1.489 -13.843 1.00 0.67 C ATOM 529 C MET A 37 10.979 -1.513 -12.439 1.00 0.68 C ATOM 530 O MET A 37 10.344 -1.925 -11.488 1.00 0.67 O ATOM 531 CB MET A 37 9.282 -0.427 -13.919 1.00 0.71 C ATOM 532 CG MET A 37 9.890 0.955 -13.674 1.00 0.75 C ATOM 533 SD MET A 37 8.590 2.211 -13.775 1.00 0.88 S ATOM 534 CE MET A 37 7.981 2.042 -12.079 1.00 0.93 C ATOM 0 H MET A 37 9.105 -3.163 -13.494 1.00 0.63 H new ATOM 0 HA MET A 37 11.159 -1.248 -14.567 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.801 -0.456 -14.896 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.510 -0.633 -13.177 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.366 0.986 -12.694 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.666 1.159 -14.412 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.927 2.317 -12.042 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.099 1.009 -11.751 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.550 2.698 -11.421 1.00 0.93 H new ATOM 544 N CYS A 38 12.201 -1.080 -12.303 1.00 0.73 N ATOM 545 CA CYS A 38 12.840 -1.091 -10.958 1.00 0.78 C ATOM 546 C CYS A 38 13.293 0.319 -10.581 1.00 0.89 C ATOM 547 O CYS A 38 13.696 1.102 -11.418 1.00 0.88 O ATOM 548 CB CYS A 38 14.049 -2.028 -10.980 1.00 0.79 C ATOM 549 SG CYS A 38 13.529 -3.667 -11.545 1.00 1.06 S ATOM 0 H CYS A 38 12.782 -0.721 -13.060 1.00 0.73 H new ATOM 0 HA CYS A 38 12.117 -1.440 -10.221 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.819 -1.631 -11.641 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.488 -2.097 -9.985 1.00 0.79 H new ATOM 554 N VAL A 39 13.236 0.639 -9.317 1.00 1.04 N ATOM 555 CA VAL A 39 13.669 1.989 -8.860 1.00 1.18 C ATOM 556 C VAL A 39 14.773 1.820 -7.815 1.00 1.37 C ATOM 557 O VAL A 39 14.928 0.765 -7.232 1.00 1.26 O ATOM 558 CB VAL A 39 12.480 2.725 -8.239 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.580 3.270 -9.349 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.681 1.755 -7.366 1.00 1.26 C ATOM 0 H VAL A 39 12.906 0.019 -8.577 1.00 1.04 H new ATOM 0 HA VAL A 39 14.043 2.568 -9.705 1.00 1.18 H new ATOM 0 HB VAL A 39 12.843 3.551 -7.628 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.733 3.794 -8.906 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.148 3.960 -9.972 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.216 2.444 -9.961 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.834 2.278 -6.923 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.318 0.929 -7.978 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.321 1.366 -6.574 1.00 1.26 H new ATOM 570 N ASP A 40 15.551 2.841 -7.579 1.00 1.71 N ATOM 571 CA ASP A 40 16.648 2.716 -6.578 1.00 1.97 C ATOM 572 C ASP A 40 16.281 3.470 -5.298 1.00 1.61 C ATOM 573 O ASP A 40 16.421 4.674 -5.214 1.00 2.31 O ATOM 574 CB ASP A 40 17.936 3.302 -7.161 1.00 3.21 C ATOM 575 CG ASP A 40 18.114 2.813 -8.600 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.422 1.882 -8.979 1.00 4.79 O ATOM 577 OD2 ASP A 40 18.939 3.379 -9.298 1.00 4.39 O ATOM 0 H ASP A 40 15.475 3.751 -8.033 1.00 1.71 H new ATOM 0 HA ASP A 40 16.795 1.662 -6.341 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.895 4.391 -7.138 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.791 3.002 -6.555 1.00 3.21 H new ATOM 582 N LEU A 41 15.819 2.768 -4.299 1.00 1.25 N ATOM 583 CA LEU A 41 15.450 3.440 -3.021 1.00 1.86 C ATOM 584 C LEU A 41 16.405 2.978 -1.917 1.00 1.67 C ATOM 585 O LEU A 41 16.076 2.120 -1.121 1.00 1.20 O ATOM 586 CB LEU A 41 14.018 3.063 -2.640 1.00 2.45 C ATOM 587 CG LEU A 41 13.032 3.763 -3.576 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.265 3.299 -5.014 1.00 2.65 C ATOM 589 CD2 LEU A 41 11.605 3.406 -3.160 1.00 3.54 C ATOM 0 H LEU A 41 15.681 1.757 -4.313 1.00 1.25 H new ATOM 0 HA LEU A 41 15.521 4.521 -3.143 1.00 1.86 H new ATOM 0 HB2 LEU A 41 13.888 1.983 -2.702 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.819 3.349 -1.607 1.00 2.45 H new ATOM 0 HG LEU A 41 13.180 4.841 -3.515 1.00 2.88 H new ATOM 0 HD11 LEU A 41 12.560 3.801 -5.677 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.284 3.544 -5.315 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.118 2.221 -5.077 1.00 2.65 H new ATOM 0 HD21 LEU A 41 10.897 3.902 -3.824 1.00 3.54 H new ATOM 0 HD22 LEU A 41 11.467 2.327 -3.224 1.00 3.54 H new ATOM 0 HD23 LEU A 41 11.432 3.734 -2.135 1.00 3.54 H new ATOM 601 N PRO A 42 17.582 3.543 -1.875 1.00 2.30 N ATOM 602 CA PRO A 42 18.612 3.191 -0.858 1.00 2.32 C ATOM 603 C PRO A 42 18.346 3.858 0.494 1.00 1.85 C ATOM 604 O PRO A 42 17.236 4.249 0.797 1.00 2.18 O ATOM 605 CB PRO A 42 19.908 3.725 -1.470 1.00 3.11 C ATOM 606 CG PRO A 42 19.491 4.873 -2.330 1.00 3.74 C ATOM 607 CD PRO A 42 18.062 4.584 -2.798 1.00 3.24 C ATOM 0 HA PRO A 42 18.631 2.121 -0.649 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.606 4.046 -0.697 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.413 2.957 -2.056 1.00 3.11 H new ATOM 0 HG2 PRO A 42 19.533 5.808 -1.772 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.162 4.980 -3.182 1.00 3.74 H new ATOM 0 HD2 PRO A 42 17.439 5.477 -2.749 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.044 4.239 -3.832 1.00 3.24 H new ATOM 615 N GLY A 43 19.357 3.993 1.307 1.00 1.69 N ATOM 616 CA GLY A 43 19.165 4.636 2.637 1.00 1.65 C ATOM 617 C GLY A 43 19.541 6.117 2.546 1.00 1.62 C ATOM 618 O GLY A 43 20.639 6.465 2.160 1.00 2.03 O ATOM 0 H GLY A 43 20.309 3.685 1.107 1.00 1.69 H new ATOM 0 HA2 GLY A 43 18.128 4.532 2.957 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.781 4.139 3.386 1.00 1.65 H new ATOM 622 N GLY A 44 18.638 6.991 2.899 1.00 1.61 N ATOM 623 CA GLY A 44 18.946 8.448 2.832 1.00 2.13 C ATOM 624 C GLY A 44 17.646 9.239 2.678 1.00 2.06 C ATOM 625 O GLY A 44 17.614 10.439 2.867 1.00 2.41 O ATOM 0 H GLY A 44 17.702 6.760 3.230 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.470 8.761 3.735 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.610 8.652 1.992 1.00 2.13 H new ATOM 629 N GLN A 45 16.573 8.580 2.336 1.00 1.86 N ATOM 630 CA GLN A 45 15.278 9.297 2.172 1.00 1.96 C ATOM 631 C GLN A 45 14.427 9.105 3.429 1.00 1.90 C ATOM 632 O GLN A 45 13.423 8.419 3.412 1.00 1.92 O ATOM 633 CB GLN A 45 14.537 8.727 0.962 1.00 2.10 C ATOM 634 CG GLN A 45 14.931 9.508 -0.294 1.00 2.29 C ATOM 635 CD GLN A 45 13.992 9.136 -1.443 1.00 2.34 C ATOM 636 OE1 GLN A 45 14.181 8.128 -2.095 1.00 2.96 O ATOM 637 NE2 GLN A 45 12.981 9.912 -1.721 1.00 2.07 N ATOM 0 H GLN A 45 16.538 7.575 2.163 1.00 1.86 H new ATOM 0 HA GLN A 45 15.464 10.360 2.020 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.780 7.672 0.838 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.460 8.790 1.119 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.879 10.579 -0.100 1.00 2.29 H new ATOM 0 HG3 GLN A 45 15.962 9.283 -0.566 1.00 2.29 H new ATOM 0 HE21 GLN A 45 12.822 10.758 -1.174 1.00 2.07 H new ATOM 0 HE22 GLN A 45 12.349 9.673 -2.485 1.00 2.07 H new ATOM 646 N GLY A 46 14.818 9.706 4.519 1.00 2.04 N ATOM 647 CA GLY A 46 14.030 9.559 5.775 1.00 2.08 C ATOM 648 C GLY A 46 12.634 10.149 5.575 1.00 2.01 C ATOM 649 O GLY A 46 12.159 10.933 6.373 1.00 2.08 O ATOM 0 H GLY A 46 15.649 10.293 4.594 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.955 8.507 6.049 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.537 10.067 6.596 1.00 2.08 H new ATOM 653 N ASN A 47 11.970 9.777 4.515 1.00 2.09 N ATOM 654 CA ASN A 47 10.604 10.315 4.263 1.00 2.14 C ATOM 655 C ASN A 47 9.906 9.460 3.204 1.00 1.80 C ATOM 656 O ASN A 47 9.957 9.752 2.026 1.00 1.63 O ATOM 657 CB ASN A 47 10.707 11.759 3.766 1.00 2.60 C ATOM 658 CG ASN A 47 12.006 11.935 2.976 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.623 12.979 3.026 1.00 2.65 O ATOM 660 ND2 ASN A 47 12.448 10.949 2.244 1.00 3.61 N ATOM 0 H ASN A 47 12.315 9.123 3.812 1.00 2.09 H new ATOM 0 HA ASN A 47 10.028 10.290 5.188 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.850 12.000 3.137 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.686 12.448 4.610 1.00 2.60 H new ATOM 0 HD21 ASN A 47 13.313 11.055 1.713 1.00 3.61 H new ATOM 0 HD22 ASN A 47 11.929 10.072 2.203 1.00 3.61 H new ATOM 667 N PRO A 48 9.259 8.409 3.627 1.00 1.85 N ATOM 668 CA PRO A 48 8.533 7.483 2.710 1.00 1.74 C ATOM 669 C PRO A 48 7.627 8.233 1.730 1.00 1.36 C ATOM 670 O PRO A 48 7.050 7.651 0.833 1.00 1.19 O ATOM 671 CB PRO A 48 7.698 6.615 3.653 1.00 2.19 C ATOM 672 CG PRO A 48 8.415 6.647 4.962 1.00 2.36 C ATOM 673 CD PRO A 48 9.148 7.987 5.033 1.00 2.21 C ATOM 0 HA PRO A 48 9.220 6.910 2.087 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.685 7.004 3.751 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.613 5.596 3.277 1.00 2.19 H new ATOM 0 HG2 PRO A 48 7.713 6.546 5.790 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.118 5.818 5.038 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.593 8.714 5.625 1.00 2.21 H new ATOM 0 HD3 PRO A 48 10.129 7.881 5.496 1.00 2.21 H new ATOM 681 N TRP A 49 7.497 9.521 1.895 1.00 1.49 N ATOM 682 CA TRP A 49 6.629 10.307 0.972 1.00 1.39 C ATOM 683 C TRP A 49 7.499 11.012 -0.070 1.00 1.17 C ATOM 684 O TRP A 49 7.230 12.130 -0.463 1.00 1.45 O ATOM 685 CB TRP A 49 5.845 11.348 1.773 1.00 1.79 C ATOM 686 CG TRP A 49 6.690 11.847 2.902 1.00 1.85 C ATOM 687 CD1 TRP A 49 7.505 12.925 2.845 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.815 11.309 4.251 1.00 2.46 C ATOM 689 NE1 TRP A 49 8.124 13.083 4.072 1.00 1.97 N ATOM 690 CE2 TRP A 49 7.732 12.112 4.971 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.230 10.214 4.912 1.00 3.27 C ATOM 692 CZ2 TRP A 49 8.056 11.837 6.302 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.553 9.935 6.249 1.00 3.87 C ATOM 694 CH2 TRP A 49 7.464 10.745 6.944 1.00 3.62 C ATOM 0 H TRP A 49 7.954 10.063 2.628 1.00 1.49 H new ATOM 0 HA TRP A 49 5.932 9.637 0.468 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.555 12.177 1.127 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.925 10.908 2.159 1.00 1.79 H new ATOM 0 HD1 TRP A 49 7.649 13.559 1.982 1.00 1.69 H new ATOM 0 HE1 TRP A 49 8.789 13.826 4.286 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.527 9.584 4.387 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 8.759 12.463 6.831 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 6.097 9.091 6.746 1.00 3.87 H new ATOM 0 HH2 TRP A 49 7.707 10.525 7.973 1.00 3.62 H new ATOM 705 N ASP A 50 8.541 10.368 -0.520 1.00 1.07 N ATOM 706 CA ASP A 50 9.427 11.004 -1.536 1.00 1.36 C ATOM 707 C ASP A 50 9.974 9.930 -2.478 1.00 1.21 C ATOM 708 O ASP A 50 11.083 10.026 -2.967 1.00 1.27 O ATOM 709 CB ASP A 50 10.591 11.704 -0.831 1.00 1.73 C ATOM 710 CG ASP A 50 10.066 12.919 -0.063 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.542 13.817 -0.701 1.00 2.38 O ATOM 712 OD2 ASP A 50 10.196 12.929 1.150 1.00 2.14 O ATOM 0 H ASP A 50 8.817 9.430 -0.229 1.00 1.07 H new ATOM 0 HA ASP A 50 8.857 11.735 -2.109 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.084 11.013 -0.147 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.337 12.017 -1.561 1.00 1.73 H new ATOM 717 N ALA A 51 9.207 8.906 -2.737 1.00 1.09 N ATOM 718 CA ALA A 51 9.685 7.828 -3.648 1.00 1.02 C ATOM 719 C ALA A 51 8.679 6.675 -3.643 1.00 0.89 C ATOM 720 O ALA A 51 8.633 5.884 -2.722 1.00 0.87 O ATOM 721 CB ALA A 51 11.045 7.321 -3.167 1.00 1.11 C ATOM 0 H ALA A 51 8.270 8.770 -2.357 1.00 1.09 H new ATOM 0 HA ALA A 51 9.782 8.222 -4.660 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.396 6.532 -3.833 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.761 8.143 -3.169 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.949 6.926 -2.156 1.00 1.11 H new ATOM 727 N GLY A 52 7.871 6.573 -4.664 1.00 0.86 N ATOM 728 CA GLY A 52 6.871 5.470 -4.710 1.00 0.86 C ATOM 729 C GLY A 52 5.979 5.631 -5.942 1.00 0.87 C ATOM 730 O GLY A 52 6.057 6.612 -6.656 1.00 0.94 O ATOM 0 H GLY A 52 7.861 7.204 -5.465 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.380 4.507 -4.741 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.263 5.480 -3.805 1.00 0.86 H new ATOM 734 N LEU A 53 5.130 4.673 -6.197 1.00 0.83 N ATOM 735 CA LEU A 53 4.229 4.766 -7.379 1.00 0.84 C ATOM 736 C LEU A 53 2.848 5.238 -6.924 1.00 0.79 C ATOM 737 O LEU A 53 2.601 5.413 -5.749 1.00 0.78 O ATOM 738 CB LEU A 53 4.108 3.392 -8.045 1.00 0.85 C ATOM 739 CG LEU A 53 5.269 3.188 -9.019 1.00 0.90 C ATOM 740 CD1 LEU A 53 6.570 3.670 -8.376 1.00 0.90 C ATOM 741 CD2 LEU A 53 5.391 1.701 -9.359 1.00 0.96 C ATOM 0 H LEU A 53 5.022 3.828 -5.636 1.00 0.83 H new ATOM 0 HA LEU A 53 4.641 5.476 -8.096 1.00 0.84 H new ATOM 0 HB2 LEU A 53 4.114 2.608 -7.288 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.158 3.316 -8.575 1.00 0.85 H new ATOM 0 HG LEU A 53 5.082 3.758 -9.929 1.00 0.90 H new ATOM 0 HD11 LEU A 53 7.396 3.524 -9.072 1.00 0.90 H new ATOM 0 HD12 LEU A 53 6.485 4.729 -8.132 1.00 0.90 H new ATOM 0 HD13 LEU A 53 6.758 3.102 -7.465 1.00 0.90 H new ATOM 0 HD21 LEU A 53 6.218 1.553 -10.053 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.577 1.133 -8.447 1.00 0.96 H new ATOM 0 HD23 LEU A 53 4.465 1.356 -9.819 1.00 0.96 H new ATOM 753 N VAL A 54 1.948 5.455 -7.844 1.00 0.79 N ATOM 754 CA VAL A 54 0.589 5.925 -7.447 1.00 0.78 C ATOM 755 C VAL A 54 -0.453 5.491 -8.483 1.00 0.80 C ATOM 756 O VAL A 54 -0.127 5.064 -9.572 1.00 0.90 O ATOM 757 CB VAL A 54 0.588 7.452 -7.342 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.389 7.888 -6.249 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.994 7.943 -6.990 1.00 0.92 C ATOM 0 H VAL A 54 2.092 5.329 -8.846 1.00 0.79 H new ATOM 0 HA VAL A 54 0.335 5.484 -6.483 1.00 0.78 H new ATOM 0 HB VAL A 54 0.282 7.879 -8.297 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.390 8.975 -6.174 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.392 7.541 -6.498 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.083 7.459 -5.295 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.992 9.030 -6.916 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.301 7.515 -6.036 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.693 7.634 -7.768 1.00 0.92 H new ATOM 769 N TYR A 55 -1.709 5.605 -8.141 1.00 0.78 N ATOM 770 CA TYR A 55 -2.792 5.212 -9.086 1.00 0.82 C ATOM 771 C TYR A 55 -4.151 5.507 -8.444 1.00 0.81 C ATOM 772 O TYR A 55 -4.393 5.173 -7.302 1.00 1.06 O ATOM 773 CB TYR A 55 -2.689 3.717 -9.399 1.00 0.83 C ATOM 774 CG TYR A 55 -3.996 3.227 -9.976 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.591 3.913 -11.042 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.617 2.090 -9.443 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.807 3.465 -11.572 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.831 1.638 -9.976 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.426 2.327 -11.040 1.00 1.37 C ATOM 780 OH TYR A 55 -7.624 1.886 -11.564 1.00 1.61 O ATOM 0 H TYR A 55 -2.032 5.957 -7.240 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.690 5.779 -10.011 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.879 3.538 -10.106 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.449 3.161 -8.492 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -4.112 4.788 -11.455 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.159 1.561 -8.620 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -6.268 3.997 -12.391 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.307 0.759 -9.567 1.00 1.71 H new ATOM 0 HH TYR A 55 -8.314 1.911 -10.869 1.00 1.61 H new ATOM 790 N ASN A 56 -5.037 6.138 -9.166 1.00 0.93 N ATOM 791 CA ASN A 56 -6.373 6.459 -8.596 1.00 1.01 C ATOM 792 C ASN A 56 -7.434 5.557 -9.231 1.00 1.28 C ATOM 793 O ASN A 56 -7.236 5.001 -10.293 1.00 2.04 O ATOM 794 CB ASN A 56 -6.706 7.923 -8.887 1.00 1.81 C ATOM 795 CG ASN A 56 -6.203 8.800 -7.740 1.00 2.22 C ATOM 796 OD1 ASN A 56 -6.807 9.803 -7.416 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.113 8.463 -7.107 1.00 2.47 N ATOM 0 H ASN A 56 -4.891 6.445 -10.128 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.359 6.293 -7.519 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.244 8.232 -9.825 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.783 8.045 -9.007 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -4.769 9.042 -6.341 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.605 7.621 -7.378 1.00 2.47 H new ATOM 804 N GLY A 57 -8.560 5.410 -8.588 1.00 1.18 N ATOM 805 CA GLY A 57 -9.633 4.545 -9.155 1.00 1.77 C ATOM 806 C GLY A 57 -9.739 3.258 -8.333 1.00 1.64 C ATOM 807 O GLY A 57 -9.267 2.213 -8.736 1.00 2.48 O ATOM 0 H GLY A 57 -8.783 5.851 -7.696 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.585 5.075 -9.145 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.411 4.307 -10.195 1.00 1.77 H new ATOM 811 N VAL A 58 -10.353 3.325 -7.183 1.00 1.34 N ATOM 812 CA VAL A 58 -10.485 2.106 -6.339 1.00 1.99 C ATOM 813 C VAL A 58 -11.771 2.191 -5.514 1.00 1.78 C ATOM 814 O VAL A 58 -11.740 2.189 -4.300 1.00 1.95 O ATOM 815 CB VAL A 58 -9.283 2.004 -5.397 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.536 0.906 -4.362 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.030 1.662 -6.206 1.00 2.88 C ATOM 0 H VAL A 58 -10.768 4.171 -6.793 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.522 1.225 -6.980 1.00 1.99 H new ATOM 0 HB VAL A 58 -9.139 2.957 -4.887 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.680 0.834 -3.691 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -10.429 1.148 -3.786 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.680 -0.047 -4.871 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.173 1.589 -5.536 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.175 0.709 -6.715 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -7.848 2.444 -6.944 1.00 2.88 H new ATOM 827 N PRO A 59 -12.894 2.264 -6.176 1.00 1.85 N ATOM 828 CA PRO A 59 -14.222 2.349 -5.505 1.00 1.84 C ATOM 829 C PRO A 59 -14.382 1.293 -4.409 1.00 1.90 C ATOM 830 O PRO A 59 -13.928 0.174 -4.542 1.00 2.05 O ATOM 831 CB PRO A 59 -15.220 2.102 -6.637 1.00 2.07 C ATOM 832 CG PRO A 59 -14.509 2.497 -7.889 1.00 2.39 C ATOM 833 CD PRO A 59 -13.017 2.270 -7.642 1.00 2.40 C ATOM 0 HA PRO A 59 -14.363 3.307 -5.005 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.523 1.056 -6.671 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -16.126 2.692 -6.497 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.856 1.902 -8.734 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.706 3.541 -8.132 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.680 1.328 -8.074 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.414 3.060 -8.090 1.00 2.40 H new ATOM 841 N VAL A 60 -15.023 1.638 -3.326 1.00 2.10 N ATOM 842 CA VAL A 60 -15.207 0.651 -2.224 1.00 2.46 C ATOM 843 C VAL A 60 -16.655 0.694 -1.732 1.00 2.53 C ATOM 844 O VAL A 60 -17.331 1.697 -1.846 1.00 2.50 O ATOM 845 CB VAL A 60 -14.264 0.994 -1.071 1.00 2.79 C ATOM 846 CG1 VAL A 60 -14.828 0.434 0.237 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.888 0.377 -1.337 1.00 2.93 C ATOM 0 H VAL A 60 -15.427 2.559 -3.156 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.981 -0.350 -2.592 1.00 2.46 H new ATOM 0 HB VAL A 60 -14.169 2.077 -0.991 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -14.155 0.679 1.058 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -15.808 0.872 0.428 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -14.924 -0.649 0.158 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -12.215 0.621 -0.515 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -12.984 -0.706 -1.418 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.484 0.776 -2.268 1.00 2.93 H new ATOM 857 N GLY A 61 -17.134 -0.389 -1.181 1.00 2.83 N ATOM 858 CA GLY A 61 -18.536 -0.413 -0.678 1.00 3.05 C ATOM 859 C GLY A 61 -18.574 -1.090 0.693 1.00 2.72 C ATOM 860 O GLY A 61 -18.335 -2.275 0.819 1.00 2.61 O ATOM 0 H GLY A 61 -16.614 -1.258 -1.058 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.925 0.603 -0.605 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -19.176 -0.950 -1.378 1.00 3.05 H new ATOM 864 N GLU A 62 -18.871 -0.346 1.723 1.00 3.03 N ATOM 865 CA GLU A 62 -18.922 -0.945 3.087 1.00 2.96 C ATOM 866 C GLU A 62 -19.548 -2.340 3.014 1.00 2.29 C ATOM 867 O GLU A 62 -20.555 -2.546 2.365 1.00 2.02 O ATOM 868 CB GLU A 62 -19.768 -0.057 4.001 1.00 4.03 C ATOM 869 CG GLU A 62 -20.322 -0.892 5.156 1.00 4.32 C ATOM 870 CD GLU A 62 -21.578 -1.634 4.696 1.00 5.32 C ATOM 871 OE1 GLU A 62 -22.159 -1.218 3.707 1.00 6.05 O ATOM 872 OE2 GLU A 62 -21.937 -2.607 5.339 1.00 5.54 O ATOM 0 H GLU A 62 -19.081 0.651 1.679 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.910 -1.023 3.485 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -19.164 0.763 4.389 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -20.586 0.389 3.436 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.571 -1.604 5.496 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -20.558 -0.248 6.003 1.00 4.32 H new ATOM 879 N GLY A 63 -18.964 -3.299 3.681 1.00 2.54 N ATOM 880 CA GLY A 63 -19.532 -4.677 3.655 1.00 2.46 C ATOM 881 C GLY A 63 -18.798 -5.523 2.612 1.00 2.21 C ATOM 882 O GLY A 63 -18.912 -6.732 2.590 1.00 2.29 O ATOM 0 H GLY A 63 -18.119 -3.188 4.242 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.440 -5.136 4.639 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.596 -4.637 3.420 1.00 2.46 H new ATOM 886 N GLU A 64 -18.049 -4.899 1.745 1.00 2.23 N ATOM 887 CA GLU A 64 -17.316 -5.672 0.704 1.00 2.27 C ATOM 888 C GLU A 64 -15.851 -5.831 1.117 1.00 2.19 C ATOM 889 O GLU A 64 -15.329 -5.063 1.900 1.00 2.81 O ATOM 890 CB GLU A 64 -17.392 -4.926 -0.628 1.00 2.70 C ATOM 891 CG GLU A 64 -18.627 -5.389 -1.404 1.00 3.18 C ATOM 892 CD GLU A 64 -18.214 -6.421 -2.455 1.00 3.59 C ATOM 893 OE1 GLU A 64 -17.330 -7.210 -2.165 1.00 3.92 O ATOM 894 OE2 GLU A 64 -18.788 -6.404 -3.531 1.00 4.03 O ATOM 0 H GLU A 64 -17.913 -3.889 1.713 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.769 -6.658 0.598 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.442 -3.851 -0.453 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.491 -5.112 -1.213 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.357 -5.823 -0.721 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.108 -4.537 -1.885 1.00 3.18 H new ATOM 901 N SER A 65 -15.183 -6.822 0.592 1.00 1.71 N ATOM 902 CA SER A 65 -13.751 -7.030 0.948 1.00 1.83 C ATOM 903 C SER A 65 -12.897 -6.914 -0.316 1.00 1.49 C ATOM 904 O SER A 65 -13.087 -7.641 -1.272 1.00 1.87 O ATOM 905 CB SER A 65 -13.574 -8.421 1.559 1.00 2.37 C ATOM 906 OG SER A 65 -14.298 -8.493 2.780 1.00 2.91 O ATOM 0 H SER A 65 -15.568 -7.497 -0.069 1.00 1.71 H new ATOM 0 HA SER A 65 -13.439 -6.276 1.671 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.930 -9.183 0.866 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.517 -8.621 1.737 1.00 2.37 H new ATOM 0 HG SER A 65 -14.188 -9.384 3.173 1.00 2.91 H new ATOM 912 N TYR A 66 -11.962 -6.004 -0.334 1.00 1.14 N ATOM 913 CA TYR A 66 -11.107 -5.840 -1.539 1.00 1.22 C ATOM 914 C TYR A 66 -9.780 -6.574 -1.335 1.00 1.63 C ATOM 915 O TYR A 66 -9.534 -7.158 -0.298 1.00 2.01 O ATOM 916 CB TYR A 66 -10.840 -4.353 -1.759 1.00 1.29 C ATOM 917 CG TYR A 66 -12.063 -3.709 -2.366 1.00 1.20 C ATOM 918 CD1 TYR A 66 -13.134 -3.335 -1.546 1.00 1.47 C ATOM 919 CD2 TYR A 66 -12.129 -3.490 -3.746 1.00 1.79 C ATOM 920 CE1 TYR A 66 -14.271 -2.741 -2.106 1.00 1.86 C ATOM 921 CE2 TYR A 66 -13.266 -2.897 -4.308 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.338 -2.522 -3.488 1.00 1.87 C ATOM 923 OH TYR A 66 -15.458 -1.938 -4.041 1.00 2.38 O ATOM 0 H TYR A 66 -11.755 -5.367 0.435 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.615 -6.257 -2.409 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.594 -3.872 -0.812 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.981 -4.220 -2.417 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -13.083 -3.505 -0.481 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -11.302 -3.779 -4.378 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -15.097 -2.452 -1.473 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -13.317 -2.729 -5.374 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.207 -1.098 -4.479 1.00 2.38 H new ATOM 933 N VAL A 67 -8.925 -6.550 -2.321 1.00 1.69 N ATOM 934 CA VAL A 67 -7.615 -7.246 -2.193 1.00 2.07 C ATOM 935 C VAL A 67 -6.661 -6.738 -3.277 1.00 2.20 C ATOM 936 O VAL A 67 -7.023 -6.630 -4.433 1.00 2.22 O ATOM 937 CB VAL A 67 -7.825 -8.753 -2.353 1.00 2.37 C ATOM 938 CG1 VAL A 67 -7.705 -9.142 -3.829 1.00 2.61 C ATOM 939 CG2 VAL A 67 -6.764 -9.498 -1.543 1.00 2.54 C ATOM 0 H VAL A 67 -9.079 -6.077 -3.211 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.185 -7.043 -1.212 1.00 2.07 H new ATOM 0 HB VAL A 67 -8.819 -9.019 -1.993 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.856 -10.216 -3.936 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -8.460 -8.611 -4.408 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.713 -8.877 -4.196 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -6.910 -10.573 -1.654 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -5.773 -9.227 -1.906 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -6.852 -9.227 -0.491 1.00 2.54 H new ATOM 949 N LEU A 68 -5.448 -6.424 -2.917 1.00 2.36 N ATOM 950 CA LEU A 68 -4.479 -5.922 -3.932 1.00 2.59 C ATOM 951 C LEU A 68 -3.290 -6.882 -4.031 1.00 2.17 C ATOM 952 O LEU A 68 -2.606 -7.137 -3.059 1.00 2.07 O ATOM 953 CB LEU A 68 -3.980 -4.535 -3.516 1.00 3.01 C ATOM 954 CG LEU A 68 -3.150 -3.927 -4.648 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.083 -3.324 -5.700 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.247 -2.827 -4.082 1.00 3.61 C ATOM 0 H LEU A 68 -5.086 -6.493 -1.966 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.973 -5.859 -4.902 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.826 -3.888 -3.284 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.378 -4.611 -2.610 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.538 -4.704 -5.107 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.491 -2.891 -6.506 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.729 -4.104 -6.103 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.695 -2.547 -5.241 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.655 -2.392 -4.887 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.861 -2.052 -3.624 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.582 -3.253 -3.331 1.00 3.61 H new ATOM 968 N SER A 69 -3.040 -7.408 -5.201 1.00 1.98 N ATOM 969 CA SER A 69 -1.894 -8.346 -5.380 1.00 1.66 C ATOM 970 C SER A 69 -0.839 -7.676 -6.263 1.00 1.53 C ATOM 971 O SER A 69 -0.970 -7.623 -7.470 1.00 1.60 O ATOM 972 CB SER A 69 -2.383 -9.631 -6.046 1.00 1.82 C ATOM 973 OG SER A 69 -3.380 -9.313 -7.007 1.00 2.27 O ATOM 0 H SER A 69 -3.584 -7.227 -6.045 1.00 1.98 H new ATOM 0 HA SER A 69 -1.461 -8.591 -4.410 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.550 -10.145 -6.526 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.788 -10.311 -5.297 1.00 1.82 H new ATOM 0 HG SER A 69 -3.042 -8.620 -7.612 1.00 2.27 H new ATOM 979 N PHE A 70 0.198 -7.144 -5.671 1.00 1.38 N ATOM 980 CA PHE A 70 1.246 -6.463 -6.482 1.00 1.30 C ATOM 981 C PHE A 70 2.386 -7.426 -6.823 1.00 1.23 C ATOM 982 O PHE A 70 2.745 -8.283 -6.040 1.00 1.40 O ATOM 983 CB PHE A 70 1.802 -5.263 -5.714 1.00 1.34 C ATOM 984 CG PHE A 70 1.941 -5.608 -4.252 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.812 -5.624 -3.425 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.201 -5.908 -3.723 1.00 1.23 C ATOM 987 CE1 PHE A 70 0.942 -5.940 -2.068 1.00 2.01 C ATOM 988 CE2 PHE A 70 3.333 -6.225 -2.366 1.00 1.35 C ATOM 989 CZ PHE A 70 2.204 -6.240 -1.539 1.00 1.48 C ATOM 0 H PHE A 70 0.363 -7.152 -4.664 1.00 1.38 H new ATOM 0 HA PHE A 70 0.789 -6.123 -7.411 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.771 -4.976 -6.123 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.140 -4.406 -5.833 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.160 -5.392 -3.834 1.00 1.96 H new ATOM 0 HD2 PHE A 70 4.072 -5.895 -4.362 1.00 1.23 H new ATOM 0 HE1 PHE A 70 0.071 -5.953 -1.430 1.00 2.01 H new ATOM 0 HE2 PHE A 70 4.305 -6.458 -1.957 1.00 1.35 H new ATOM 0 HZ PHE A 70 2.306 -6.483 -0.492 1.00 1.48 H new ATOM 999 N THR A 71 2.973 -7.263 -7.978 1.00 1.13 N ATOM 1000 CA THR A 71 4.114 -8.133 -8.381 1.00 1.16 C ATOM 1001 C THR A 71 5.412 -7.365 -8.124 1.00 1.11 C ATOM 1002 O THR A 71 5.729 -6.433 -8.835 1.00 1.39 O ATOM 1003 CB THR A 71 4.014 -8.443 -9.877 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.440 -7.330 -10.547 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.144 -9.680 -10.106 1.00 1.80 C ATOM 0 H THR A 71 2.708 -6.558 -8.665 1.00 1.13 H new ATOM 0 HA THR A 71 4.096 -9.063 -7.814 1.00 1.16 H new ATOM 0 HB THR A 71 5.012 -8.638 -10.268 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.617 -6.513 -10.035 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.082 -9.888 -11.174 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.586 -10.535 -9.594 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.144 -9.499 -9.713 1.00 1.80 H new ATOM 1013 N ALA A 72 6.165 -7.723 -7.119 1.00 0.96 N ATOM 1014 CA ALA A 72 7.422 -6.965 -6.860 1.00 0.87 C ATOM 1015 C ALA A 72 8.413 -7.811 -6.059 1.00 0.81 C ATOM 1016 O ALA A 72 8.042 -8.725 -5.350 1.00 0.85 O ATOM 1017 CB ALA A 72 7.092 -5.696 -6.070 1.00 0.81 C ATOM 0 H ALA A 72 5.970 -8.492 -6.478 1.00 0.96 H new ATOM 0 HA ALA A 72 7.876 -6.708 -7.817 1.00 0.87 H new ATOM 0 HB1 ALA A 72 8.009 -5.138 -5.878 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.404 -5.077 -6.646 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.628 -5.968 -5.122 1.00 0.81 H new ATOM 1023 N SER A 73 9.675 -7.495 -6.166 1.00 0.75 N ATOM 1024 CA SER A 73 10.712 -8.254 -5.412 1.00 0.72 C ATOM 1025 C SER A 73 11.649 -7.260 -4.723 1.00 0.64 C ATOM 1026 O SER A 73 12.267 -6.431 -5.362 1.00 0.84 O ATOM 1027 CB SER A 73 11.514 -9.127 -6.378 1.00 0.82 C ATOM 1028 OG SER A 73 12.216 -8.294 -7.291 1.00 0.93 O ATOM 0 H SER A 73 10.034 -6.738 -6.748 1.00 0.75 H new ATOM 0 HA SER A 73 10.234 -8.891 -4.668 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.215 -9.752 -5.825 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.847 -9.798 -6.919 1.00 0.82 H new ATOM 0 HG SER A 73 12.330 -7.403 -6.899 1.00 0.93 H new ATOM 1034 N ALA A 74 11.756 -7.329 -3.425 1.00 0.66 N ATOM 1035 CA ALA A 74 12.646 -6.381 -2.699 1.00 0.59 C ATOM 1036 C ALA A 74 14.093 -6.872 -2.768 1.00 0.61 C ATOM 1037 O ALA A 74 14.385 -8.015 -2.480 1.00 0.67 O ATOM 1038 CB ALA A 74 12.210 -6.294 -1.235 1.00 0.59 C ATOM 0 H ALA A 74 11.265 -8.001 -2.836 1.00 0.66 H new ATOM 0 HA ALA A 74 12.577 -5.397 -3.163 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.861 -5.600 -0.702 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.181 -5.939 -1.182 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.278 -7.280 -0.776 1.00 0.59 H new ATOM 1044 N THR A 75 15.000 -6.014 -3.148 1.00 0.62 N ATOM 1045 CA THR A 75 16.428 -6.419 -3.237 1.00 0.72 C ATOM 1046 C THR A 75 17.296 -5.381 -2.510 1.00 0.72 C ATOM 1047 O THR A 75 17.337 -4.233 -2.908 1.00 0.74 O ATOM 1048 CB THR A 75 16.832 -6.467 -4.710 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.057 -5.526 -5.439 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.589 -7.870 -5.269 1.00 0.97 C ATOM 0 H THR A 75 14.810 -5.044 -3.402 1.00 0.62 H new ATOM 0 HA THR A 75 16.568 -7.397 -2.777 1.00 0.72 H new ATOM 0 HB THR A 75 17.890 -6.223 -4.803 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.314 -5.552 -6.384 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.879 -7.898 -6.319 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.183 -8.593 -4.709 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.532 -8.120 -5.177 1.00 0.97 H new ATOM 1058 N PRO A 76 17.985 -5.756 -1.457 1.00 0.77 N ATOM 1059 CA PRO A 76 17.985 -7.148 -0.906 1.00 0.83 C ATOM 1060 C PRO A 76 16.615 -7.541 -0.337 1.00 0.73 C ATOM 1061 O PRO A 76 15.589 -7.141 -0.849 1.00 0.68 O ATOM 1062 CB PRO A 76 19.052 -7.092 0.201 1.00 0.97 C ATOM 1063 CG PRO A 76 19.163 -5.656 0.583 1.00 1.02 C ATOM 1064 CD PRO A 76 18.848 -4.856 -0.677 1.00 0.85 C ATOM 0 HA PRO A 76 18.195 -7.898 -1.669 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.762 -7.703 1.056 1.00 0.97 H new ATOM 0 HB3 PRO A 76 20.007 -7.477 -0.156 1.00 0.97 H new ATOM 0 HG2 PRO A 76 18.466 -5.411 1.384 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.163 -5.427 0.950 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.341 -3.921 -0.441 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.755 -4.598 -1.224 1.00 0.85 H new ATOM 1072 N ASP A 77 16.578 -8.308 0.717 1.00 0.81 N ATOM 1073 CA ASP A 77 15.266 -8.705 1.299 1.00 0.76 C ATOM 1074 C ASP A 77 14.843 -7.675 2.347 1.00 0.72 C ATOM 1075 O ASP A 77 15.666 -6.997 2.927 1.00 0.78 O ATOM 1076 CB ASP A 77 15.396 -10.080 1.959 1.00 0.91 C ATOM 1077 CG ASP A 77 16.456 -10.902 1.224 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.581 -10.437 1.135 1.00 1.30 O ATOM 1079 OD2 ASP A 77 16.125 -11.981 0.761 1.00 1.75 O ATOM 0 H ASP A 77 17.398 -8.676 1.199 1.00 0.81 H new ATOM 0 HA ASP A 77 14.516 -8.751 0.509 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.671 -9.967 3.008 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.438 -10.599 1.935 1.00 0.91 H new ATOM 1084 N MET A 78 13.565 -7.551 2.591 1.00 0.75 N ATOM 1085 CA MET A 78 13.087 -6.563 3.602 1.00 0.87 C ATOM 1086 C MET A 78 11.628 -6.204 3.307 1.00 0.89 C ATOM 1087 O MET A 78 11.169 -6.309 2.187 1.00 0.93 O ATOM 1088 CB MET A 78 13.944 -5.295 3.524 1.00 1.01 C ATOM 1089 CG MET A 78 15.048 -5.328 4.588 1.00 1.19 C ATOM 1090 SD MET A 78 14.616 -4.208 5.941 1.00 1.83 S ATOM 1091 CE MET A 78 15.882 -2.958 5.604 1.00 2.16 C ATOM 0 H MET A 78 12.831 -8.092 2.133 1.00 0.75 H new ATOM 0 HA MET A 78 13.166 -6.996 4.599 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.389 -5.210 2.532 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.317 -4.415 3.669 1.00 1.01 H new ATOM 0 HG2 MET A 78 15.172 -6.342 4.967 1.00 1.19 H new ATOM 0 HG3 MET A 78 16.001 -5.033 4.148 1.00 1.19 H new ATOM 0 HE1 MET A 78 15.768 -2.127 6.300 1.00 2.16 H new ATOM 0 HE2 MET A 78 16.871 -3.400 5.725 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.770 -2.593 4.583 1.00 2.16 H new ATOM 1101 N PRO A 79 10.905 -5.782 4.310 1.00 0.96 N ATOM 1102 CA PRO A 79 9.472 -5.395 4.167 1.00 1.04 C ATOM 1103 C PRO A 79 9.303 -4.009 3.539 1.00 1.13 C ATOM 1104 O PRO A 79 10.057 -3.097 3.813 1.00 1.28 O ATOM 1105 CB PRO A 79 8.960 -5.390 5.607 1.00 1.12 C ATOM 1106 CG PRO A 79 10.157 -5.075 6.443 1.00 1.38 C ATOM 1107 CD PRO A 79 11.373 -5.629 5.698 1.00 1.11 C ATOM 0 HA PRO A 79 8.932 -6.075 3.509 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.176 -4.645 5.744 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.533 -6.356 5.877 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.252 -4.000 6.593 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.069 -5.528 7.431 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.222 -4.948 5.760 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.697 -6.582 6.117 1.00 1.11 H new ATOM 1115 N VAL A 80 8.315 -3.843 2.702 1.00 1.13 N ATOM 1116 CA VAL A 80 8.097 -2.513 2.064 1.00 1.31 C ATOM 1117 C VAL A 80 6.846 -1.864 2.659 1.00 1.45 C ATOM 1118 O VAL A 80 6.097 -2.486 3.386 1.00 1.98 O ATOM 1119 CB VAL A 80 7.908 -2.689 0.555 1.00 1.56 C ATOM 1120 CG1 VAL A 80 9.173 -3.299 -0.051 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.720 -3.616 0.290 1.00 1.79 C ATOM 0 H VAL A 80 7.651 -4.569 2.433 1.00 1.13 H new ATOM 0 HA VAL A 80 8.964 -1.878 2.248 1.00 1.31 H new ATOM 0 HB VAL A 80 7.718 -1.717 0.100 1.00 1.56 H new ATOM 0 HG11 VAL A 80 9.038 -3.424 -1.125 1.00 2.01 H new ATOM 0 HG12 VAL A 80 10.020 -2.638 0.134 1.00 2.01 H new ATOM 0 HG13 VAL A 80 9.364 -4.270 0.406 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.588 -3.740 -0.785 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.908 -4.588 0.747 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.817 -3.182 0.719 1.00 1.79 H new ATOM 1131 N ARG A 81 6.616 -0.615 2.356 1.00 1.48 N ATOM 1132 CA ARG A 81 5.414 0.075 2.904 1.00 1.84 C ATOM 1133 C ARG A 81 4.413 0.326 1.776 1.00 2.04 C ATOM 1134 O ARG A 81 4.773 0.387 0.617 1.00 2.57 O ATOM 1135 CB ARG A 81 5.832 1.411 3.523 1.00 2.24 C ATOM 1136 CG ARG A 81 5.150 1.580 4.883 1.00 2.95 C ATOM 1137 CD ARG A 81 5.715 2.813 5.588 1.00 4.04 C ATOM 1138 NE ARG A 81 4.592 3.674 6.058 1.00 4.81 N ATOM 1139 CZ ARG A 81 4.815 4.616 6.933 1.00 5.14 C ATOM 1140 NH1 ARG A 81 6.020 4.804 7.398 1.00 4.94 N ATOM 1141 NH2 ARG A 81 3.833 5.370 7.345 1.00 6.01 N ATOM 0 H ARG A 81 7.208 -0.043 1.753 1.00 1.48 H new ATOM 0 HA ARG A 81 4.951 -0.550 3.668 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.915 1.446 3.641 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.556 2.232 2.862 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.073 1.685 4.751 1.00 2.95 H new ATOM 0 HG3 ARG A 81 5.311 0.693 5.495 1.00 2.95 H new ATOM 0 HD2 ARG A 81 6.334 2.511 6.433 1.00 4.04 H new ATOM 0 HD3 ARG A 81 6.356 3.373 4.907 1.00 4.04 H new ATOM 0 HE ARG A 81 3.650 3.527 5.696 1.00 4.81 H new ATOM 0 HH11 ARG A 81 6.788 4.214 7.077 1.00 4.94 H new ATOM 0 HH12 ARG A 81 6.194 5.541 8.082 1.00 4.94 H new ATOM 0 HH21 ARG A 81 2.891 5.223 6.983 1.00 6.01 H new ATOM 0 HH22 ARG A 81 4.008 6.106 8.029 1.00 6.01 H new ATOM 1155 N VAL A 82 3.160 0.469 2.104 1.00 2.00 N ATOM 1156 CA VAL A 82 2.137 0.714 1.050 1.00 2.41 C ATOM 1157 C VAL A 82 0.917 1.397 1.671 1.00 1.99 C ATOM 1158 O VAL A 82 0.698 1.333 2.865 1.00 1.85 O ATOM 1159 CB VAL A 82 1.717 -0.621 0.434 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.363 -1.609 1.547 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.497 -0.409 -0.464 1.00 3.57 C ATOM 0 H VAL A 82 2.800 0.427 3.057 1.00 2.00 H new ATOM 0 HA VAL A 82 2.556 1.357 0.276 1.00 2.41 H new ATOM 0 HB VAL A 82 2.540 -1.020 -0.159 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.064 -2.560 1.107 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.232 -1.762 2.187 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.541 -1.209 2.141 1.00 3.76 H new ATOM 0 HG21 VAL A 82 0.198 -1.361 -0.903 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.326 -0.008 0.128 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.748 0.294 -1.259 1.00 3.57 H new ATOM 1171 N LEU A 83 0.120 2.049 0.871 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.085 2.734 1.417 1.00 1.82 C ATOM 1173 C LEU A 83 -2.145 2.865 0.321 1.00 1.64 C ATOM 1174 O LEU A 83 -1.835 3.082 -0.833 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.699 4.126 1.922 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.013 4.906 0.798 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -0.536 6.344 0.782 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.498 4.916 1.036 1.00 1.42 C ATOM 0 H LEU A 83 0.251 2.137 -0.137 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.489 2.147 2.242 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.587 4.661 2.260 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.032 4.041 2.780 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.228 4.431 -0.159 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.048 6.900 -0.018 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -1.613 6.338 0.615 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.320 6.820 1.738 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.989 5.471 0.236 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.712 5.392 1.993 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.871 3.892 1.049 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.395 2.736 0.676 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.476 2.854 -0.345 1.00 1.53 C ATOM 1192 C VAL A 84 -5.767 3.314 0.331 1.00 1.46 C ATOM 1193 O VAL A 84 -5.926 3.200 1.530 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.715 1.496 -1.006 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.094 1.700 -2.474 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.438 0.656 -0.925 1.00 1.84 C ATOM 0 H VAL A 84 -3.714 2.554 1.628 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.175 3.579 -1.101 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.525 0.981 -0.489 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.264 0.731 -2.944 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.003 2.298 -2.535 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.285 2.217 -2.990 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.609 -0.312 -1.396 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.629 1.173 -1.441 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.166 0.508 0.120 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.696 3.827 -0.430 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.980 4.289 0.170 1.00 1.49 C ATOM 1208 C GLY A 85 -8.337 5.669 -0.385 1.00 1.17 C ATOM 1209 O GLY A 85 -7.793 6.110 -1.377 1.00 1.15 O ATOM 0 H GLY A 85 -6.621 3.946 -1.440 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.775 3.578 -0.055 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.891 4.334 1.255 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.249 6.353 0.248 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.642 7.704 -0.242 1.00 1.19 C ATOM 1215 C GLU A 86 -8.663 8.747 0.301 1.00 1.21 C ATOM 1216 O GLU A 86 -9.038 9.860 0.613 1.00 1.63 O ATOM 1217 CB GLU A 86 -11.056 8.031 0.245 1.00 1.44 C ATOM 1218 CG GLU A 86 -11.098 7.957 1.773 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.258 6.500 2.210 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.392 5.653 1.341 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -11.244 6.255 3.404 1.00 2.54 O ATOM 0 H GLU A 86 -9.739 6.035 1.084 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.620 7.717 -1.332 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.346 9.027 -0.090 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.771 7.329 -0.184 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.183 8.375 2.193 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.926 8.555 2.154 1.00 1.42 H new ATOM 1228 N GLY A 87 -7.413 8.396 0.419 1.00 1.18 N ATOM 1229 CA GLY A 87 -6.411 9.367 0.945 1.00 1.38 C ATOM 1230 C GLY A 87 -6.673 10.751 0.347 1.00 1.20 C ATOM 1231 O GLY A 87 -6.103 11.120 -0.660 1.00 1.26 O ATOM 0 H GLY A 87 -7.041 7.478 0.174 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.470 9.413 2.032 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -5.403 9.036 0.694 1.00 1.38 H new ATOM 1280 N ARG A 92 -9.807 9.687 5.955 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.964 8.534 6.378 1.00 2.12 C ATOM 1282 C ARG A 92 -9.057 7.416 5.339 1.00 1.84 C ATOM 1283 O ARG A 92 -9.683 7.563 4.308 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.455 8.014 7.731 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.966 7.773 7.667 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.255 6.395 7.065 1.00 3.19 C ATOM 1287 NE ARG A 92 -12.026 5.558 8.038 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.676 5.482 9.295 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -10.598 6.082 9.721 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -12.398 4.783 10.127 1.00 5.74 N ATOM 0 HA ARG A 92 -7.927 8.859 6.465 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -8.939 7.089 7.986 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.224 8.735 8.515 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -11.395 7.839 8.667 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -11.440 8.548 7.065 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.821 6.505 6.140 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -10.319 5.898 6.808 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.841 5.037 7.713 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.021 6.616 9.071 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -10.333 6.017 10.704 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -13.232 4.298 9.796 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -12.128 4.721 11.109 1.00 5.74 H new ATOM 1304 N THR A 93 -8.439 6.297 5.603 1.00 1.67 N ATOM 1305 CA THR A 93 -8.489 5.167 4.633 1.00 1.74 C ATOM 1306 C THR A 93 -8.541 3.837 5.383 1.00 1.95 C ATOM 1307 O THR A 93 -8.667 3.792 6.591 1.00 2.27 O ATOM 1308 CB THR A 93 -7.237 5.186 3.754 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.907 3.853 3.390 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.073 5.804 4.530 1.00 1.74 C ATOM 0 H THR A 93 -7.901 6.117 6.450 1.00 1.67 H new ATOM 0 HA THR A 93 -9.380 5.276 4.015 1.00 1.74 H new ATOM 0 HB THR A 93 -7.427 5.778 2.859 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.354 3.862 2.581 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.182 5.816 3.902 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.328 6.824 4.818 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.878 5.213 5.425 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.433 2.752 4.667 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.462 1.417 5.321 1.00 2.71 C ATOM 1320 C ALA A 94 -7.207 0.640 4.917 1.00 2.70 C ATOM 1321 O ALA A 94 -6.776 -0.264 5.607 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.706 0.651 4.866 1.00 3.28 C ATOM 0 H ALA A 94 -8.326 2.734 3.653 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.491 1.537 6.404 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.727 -0.327 5.346 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.599 1.210 5.144 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.679 0.524 3.784 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.616 0.985 3.805 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.388 0.268 3.361 1.00 2.32 C ATOM 1330 C PHE A 95 -4.158 0.977 3.927 1.00 1.89 C ATOM 1331 O PHE A 95 -3.171 1.166 3.245 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.323 0.288 1.835 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.630 -0.954 1.326 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.526 -1.480 2.009 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.090 -1.575 0.159 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -2.884 -2.626 1.524 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -4.449 -2.721 -0.324 1.00 3.65 C ATOM 1338 CZ PHE A 95 -3.346 -3.247 0.357 1.00 3.60 C ATOM 0 H PHE A 95 -6.931 1.732 3.186 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.413 -0.762 3.716 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.330 0.347 1.422 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.788 1.176 1.498 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.170 -1.002 2.910 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -5.940 -1.169 -0.369 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -2.032 -3.031 2.050 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -4.806 -3.200 -1.224 1.00 3.65 H new ATOM 0 HZ PHE A 95 -2.851 -4.131 -0.017 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.205 1.380 5.166 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.033 2.082 5.758 1.00 2.11 C ATOM 1350 C GLU A 96 -2.078 1.055 6.368 1.00 1.99 C ATOM 1351 O GLU A 96 -1.650 1.184 7.498 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.510 3.047 6.847 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.487 4.172 7.016 1.00 3.05 C ATOM 1354 CD GLU A 96 -1.217 3.613 7.660 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -0.364 3.140 6.928 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -1.118 3.669 8.875 1.00 4.04 O ATOM 0 H GLU A 96 -5.001 1.254 5.792 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.515 2.642 4.980 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.482 3.462 6.580 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.639 2.514 7.789 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -2.253 4.613 6.047 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -2.903 4.966 7.636 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.740 0.033 5.629 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.814 -1.001 6.165 1.00 2.35 C ATOM 1365 C GLN A 97 0.508 -0.942 5.395 1.00 2.76 C ATOM 1366 O GLN A 97 0.557 -0.519 4.257 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.461 -2.384 6.007 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.418 -3.409 5.556 1.00 2.67 C ATOM 1369 CD GLN A 97 -1.030 -4.811 5.591 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -0.670 -5.624 6.419 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.947 -5.131 4.719 1.00 3.46 N ATOM 0 H GLN A 97 -2.066 -0.129 4.676 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.617 -0.818 7.221 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.903 -2.697 6.953 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.270 -2.334 5.278 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.076 -3.175 4.548 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.455 -3.366 6.207 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -2.250 -4.449 4.024 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -2.361 -6.063 4.733 1.00 3.46 H new ATOM 1380 N GLY A 98 1.583 -1.361 6.008 1.00 2.66 N ATOM 1381 CA GLY A 98 2.899 -1.328 5.310 1.00 3.12 C ATOM 1382 C GLY A 98 3.690 -2.592 5.648 1.00 2.94 C ATOM 1383 O GLY A 98 4.829 -2.748 5.251 1.00 3.67 O ATOM 0 H GLY A 98 1.606 -1.724 6.961 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.749 -1.258 4.233 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.460 -0.444 5.612 1.00 3.12 H new ATOM 1387 N SER A 99 3.098 -3.498 6.377 1.00 2.31 N ATOM 1388 CA SER A 99 3.818 -4.751 6.739 1.00 2.54 C ATOM 1389 C SER A 99 3.830 -5.697 5.537 1.00 2.05 C ATOM 1390 O SER A 99 3.291 -6.786 5.586 1.00 1.87 O ATOM 1391 CB SER A 99 3.105 -5.425 7.912 1.00 3.04 C ATOM 1392 OG SER A 99 3.653 -4.945 9.132 1.00 3.79 O ATOM 0 H SER A 99 2.147 -3.424 6.738 1.00 2.31 H new ATOM 0 HA SER A 99 4.843 -4.514 7.024 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.036 -5.215 7.872 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.220 -6.507 7.849 1.00 3.04 H new ATOM 0 HG SER A 99 3.197 -5.374 9.886 1.00 3.79 H new ATOM 1398 N ALA A 100 4.442 -5.293 4.458 1.00 1.96 N ATOM 1399 CA ALA A 100 4.489 -6.170 3.254 1.00 1.63 C ATOM 1400 C ALA A 100 5.889 -6.783 3.127 1.00 1.41 C ATOM 1401 O ALA A 100 6.835 -6.106 2.776 1.00 1.39 O ATOM 1402 CB ALA A 100 4.184 -5.334 2.010 1.00 1.76 C ATOM 0 H ALA A 100 4.912 -4.393 4.358 1.00 1.96 H new ATOM 0 HA ALA A 100 3.751 -6.966 3.350 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.217 -5.971 1.126 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.191 -4.893 2.102 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.926 -4.541 1.914 1.00 1.76 H new ATOM 1408 N PRO A 101 6.028 -8.053 3.418 1.00 1.67 N ATOM 1409 CA PRO A 101 7.340 -8.755 3.340 1.00 1.70 C ATOM 1410 C PRO A 101 7.726 -9.127 1.906 1.00 1.06 C ATOM 1411 O PRO A 101 6.999 -9.813 1.214 1.00 1.45 O ATOM 1412 CB PRO A 101 7.121 -10.014 4.178 1.00 2.69 C ATOM 1413 CG PRO A 101 5.658 -10.298 4.098 1.00 2.97 C ATOM 1414 CD PRO A 101 4.952 -8.961 3.852 1.00 2.35 C ATOM 0 HA PRO A 101 8.156 -8.125 3.695 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.704 -10.849 3.791 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.434 -9.858 5.210 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.445 -11.000 3.292 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.304 -10.756 5.021 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.179 -9.054 3.089 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.465 -8.596 4.756 1.00 2.35 H new ATOM 1422 N LEU A 102 8.869 -8.684 1.456 1.00 0.99 N ATOM 1423 CA LEU A 102 9.307 -9.015 0.070 1.00 1.10 C ATOM 1424 C LEU A 102 10.682 -9.686 0.119 1.00 0.93 C ATOM 1425 O LEU A 102 11.305 -9.770 1.159 1.00 1.33 O ATOM 1426 CB LEU A 102 9.394 -7.730 -0.758 1.00 2.00 C ATOM 1427 CG LEU A 102 8.053 -7.467 -1.444 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.732 -8.615 -2.402 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.950 -7.362 -0.388 1.00 2.31 C ATOM 0 H LEU A 102 9.519 -8.106 1.989 1.00 0.99 H new ATOM 0 HA LEU A 102 8.587 -9.693 -0.388 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.656 -6.889 -0.116 1.00 2.00 H new ATOM 0 HB3 LEU A 102 10.184 -7.819 -1.504 1.00 2.00 H new ATOM 0 HG LEU A 102 8.111 -6.534 -2.004 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.776 -8.425 -2.890 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.516 -8.689 -3.156 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.676 -9.550 -1.844 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.994 -7.174 -0.877 1.00 2.31 H new ATOM 0 HD22 LEU A 102 6.893 -8.295 0.173 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.176 -6.542 0.294 1.00 2.31 H new ATOM 1441 N THR A 103 11.162 -10.167 -0.996 1.00 1.21 N ATOM 1442 CA THR A 103 12.495 -10.833 -1.007 1.00 1.09 C ATOM 1443 C THR A 103 13.281 -10.399 -2.247 1.00 1.38 C ATOM 1444 O THR A 103 12.856 -9.542 -2.995 1.00 1.81 O ATOM 1445 CB THR A 103 12.305 -12.352 -1.032 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.522 -12.974 -1.418 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.205 -12.715 -2.031 1.00 2.34 C ATOM 0 H THR A 103 10.689 -10.127 -1.899 1.00 1.21 H new ATOM 0 HA THR A 103 13.047 -10.547 -0.112 1.00 1.09 H new ATOM 0 HB THR A 103 12.019 -12.698 -0.039 1.00 1.79 H new ATOM 0 HG1 THR A 103 14.149 -12.961 -0.665 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.071 -13.797 -2.048 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.271 -12.238 -1.733 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.488 -12.369 -3.025 1.00 2.34 H new ATOM 1455 N GLY A 104 14.427 -10.985 -2.468 1.00 1.62 N ATOM 1456 CA GLY A 104 15.245 -10.608 -3.657 1.00 2.17 C ATOM 1457 C GLY A 104 14.804 -11.434 -4.867 1.00 1.60 C ATOM 1458 O GLY A 104 15.616 -11.911 -5.634 1.00 1.83 O ATOM 0 H GLY A 104 14.833 -11.710 -1.876 1.00 1.62 H new ATOM 0 HA2 GLY A 104 15.129 -9.545 -3.868 1.00 2.17 H new ATOM 0 HA3 GLY A 104 16.302 -10.779 -3.453 1.00 2.17 H new ATOM 1462 N GLU A 105 13.523 -11.603 -5.045 1.00 1.22 N ATOM 1463 CA GLU A 105 13.027 -12.395 -6.206 1.00 1.09 C ATOM 1464 C GLU A 105 11.549 -12.076 -6.435 1.00 1.06 C ATOM 1465 O GLU A 105 10.872 -11.577 -5.560 1.00 1.08 O ATOM 1466 CB GLU A 105 13.186 -13.889 -5.907 1.00 1.40 C ATOM 1467 CG GLU A 105 14.453 -14.418 -6.584 1.00 1.95 C ATOM 1468 CD GLU A 105 14.442 -15.948 -6.560 1.00 2.43 C ATOM 1469 OE1 GLU A 105 13.865 -16.531 -7.463 1.00 2.75 O ATOM 1470 OE2 GLU A 105 15.012 -16.510 -5.640 1.00 3.02 O ATOM 0 H GLU A 105 12.797 -11.226 -4.436 1.00 1.22 H new ATOM 0 HA GLU A 105 13.600 -12.141 -7.098 1.00 1.09 H new ATOM 0 HB2 GLU A 105 13.243 -14.050 -4.831 1.00 1.40 H new ATOM 0 HB3 GLU A 105 12.314 -14.436 -6.266 1.00 1.40 H new ATOM 0 HG2 GLU A 105 14.506 -14.060 -7.612 1.00 1.95 H new ATOM 0 HG3 GLU A 105 15.337 -14.042 -6.070 1.00 1.95 H new ATOM 1477 N PRO A 106 11.052 -12.367 -7.607 1.00 1.08 N ATOM 1478 CA PRO A 106 9.628 -12.111 -7.962 1.00 1.12 C ATOM 1479 C PRO A 106 8.670 -12.738 -6.947 1.00 1.24 C ATOM 1480 O PRO A 106 8.613 -13.942 -6.794 1.00 1.42 O ATOM 1481 CB PRO A 106 9.448 -12.761 -9.340 1.00 1.26 C ATOM 1482 CG PRO A 106 10.683 -13.567 -9.592 1.00 1.20 C ATOM 1483 CD PRO A 106 11.789 -12.972 -8.722 1.00 1.13 C ATOM 0 HA PRO A 106 9.403 -11.045 -7.966 1.00 1.12 H new ATOM 0 HB2 PRO A 106 8.561 -13.394 -9.358 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.314 -12.003 -10.112 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.517 -14.615 -9.342 1.00 1.20 H new ATOM 0 HG3 PRO A 106 10.959 -13.530 -10.646 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.485 -13.737 -8.377 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.374 -12.231 -9.266 1.00 1.13 H new ATOM 1491 N ALA A 107 7.923 -11.930 -6.248 1.00 1.17 N ATOM 1492 CA ALA A 107 6.975 -12.480 -5.240 1.00 1.31 C ATOM 1493 C ALA A 107 5.770 -11.548 -5.101 1.00 1.24 C ATOM 1494 O ALA A 107 5.909 -10.370 -4.833 1.00 1.04 O ATOM 1495 CB ALA A 107 7.683 -12.602 -3.890 1.00 1.37 C ATOM 0 H ALA A 107 7.928 -10.913 -6.331 1.00 1.17 H new ATOM 0 HA ALA A 107 6.634 -13.463 -5.565 1.00 1.31 H new ATOM 0 HB1 ALA A 107 6.990 -13.005 -3.151 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.539 -13.270 -3.987 1.00 1.37 H new ATOM 0 HB3 ALA A 107 8.025 -11.618 -3.568 1.00 1.37 H new ATOM 1501 N THR A 108 4.588 -12.069 -5.282 1.00 1.45 N ATOM 1502 CA THR A 108 3.371 -11.222 -5.157 1.00 1.43 C ATOM 1503 C THR A 108 2.847 -11.269 -3.723 1.00 1.38 C ATOM 1504 O THR A 108 2.980 -12.259 -3.033 1.00 1.47 O ATOM 1505 CB THR A 108 2.285 -11.740 -6.098 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.451 -13.139 -6.288 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.396 -11.025 -7.442 1.00 1.66 C ATOM 0 H THR A 108 4.413 -13.047 -5.512 1.00 1.45 H new ATOM 0 HA THR A 108 3.629 -10.196 -5.418 1.00 1.43 H new ATOM 0 HB THR A 108 1.304 -11.548 -5.664 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.753 -13.472 -6.890 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.622 -11.393 -8.115 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.269 -9.952 -7.295 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.377 -11.218 -7.877 1.00 1.66 H new ATOM 1515 N ARG A 109 2.220 -10.214 -3.282 1.00 1.33 N ATOM 1516 CA ARG A 109 1.651 -10.211 -1.907 1.00 1.32 C ATOM 1517 C ARG A 109 0.214 -9.711 -2.001 1.00 1.37 C ATOM 1518 O ARG A 109 -0.093 -8.846 -2.794 1.00 1.49 O ATOM 1519 CB ARG A 109 2.459 -9.290 -0.995 1.00 1.27 C ATOM 1520 CG ARG A 109 3.505 -10.101 -0.223 1.00 1.97 C ATOM 1521 CD ARG A 109 2.822 -11.189 0.613 1.00 2.63 C ATOM 1522 NE ARG A 109 1.399 -10.825 0.859 1.00 3.48 N ATOM 1523 CZ ARG A 109 0.555 -11.734 1.264 1.00 3.74 C ATOM 1524 NH1 ARG A 109 0.958 -12.962 1.448 1.00 3.39 N ATOM 1525 NH2 ARG A 109 -0.691 -11.417 1.486 1.00 4.70 N ATOM 0 H ARG A 109 2.078 -9.355 -3.814 1.00 1.33 H new ATOM 0 HA ARG A 109 1.685 -11.216 -1.487 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.950 -8.518 -1.587 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.794 -8.781 -0.297 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.209 -10.556 -0.920 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.080 -9.441 0.426 1.00 1.97 H new ATOM 0 HD2 ARG A 109 2.877 -12.146 0.094 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.344 -11.311 1.562 1.00 2.63 H new ATOM 0 HE ARG A 109 1.084 -9.866 0.711 1.00 3.48 H new ATOM 0 HH11 ARG A 109 1.932 -13.210 1.275 1.00 3.39 H new ATOM 0 HH12 ARG A 109 0.299 -13.673 1.765 1.00 3.39 H new ATOM 0 HH21 ARG A 109 -1.006 -10.458 1.343 1.00 4.70 H new ATOM 0 HH22 ARG A 109 -1.350 -12.129 1.803 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.671 -10.255 -1.218 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.091 -9.813 -1.302 1.00 1.51 C ATOM 1541 C GLU A 110 -2.618 -9.414 0.076 1.00 1.50 C ATOM 1542 O GLU A 110 -2.532 -10.163 1.030 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.942 -10.958 -1.853 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.098 -11.812 -2.801 1.00 2.12 C ATOM 1545 CD GLU A 110 -2.980 -12.883 -3.446 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -4.191 -12.760 -3.352 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -2.431 -13.807 -4.023 1.00 3.28 O ATOM 0 H GLU A 110 -0.477 -10.981 -0.528 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.148 -8.947 -1.962 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.320 -11.570 -1.034 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.809 -10.560 -2.380 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -1.649 -11.184 -3.570 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.280 -12.281 -2.254 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.186 -8.245 0.177 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.750 -7.797 1.481 1.00 1.81 C ATOM 1556 C TYR A 111 -5.220 -7.427 1.277 1.00 2.14 C ATOM 1557 O TYR A 111 -5.546 -6.546 0.507 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.983 -6.579 2.002 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.494 -6.801 1.863 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.928 -8.037 2.200 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.677 -5.760 1.405 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.453 -8.231 2.074 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.702 -5.955 1.280 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.268 -7.190 1.615 1.00 2.36 C ATOM 1565 OH TYR A 111 2.630 -7.382 1.494 1.00 2.67 O ATOM 0 H TYR A 111 -3.284 -7.579 -0.589 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.661 -8.602 2.211 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.279 -5.689 1.447 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.236 -6.401 3.047 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.556 -8.840 2.557 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -1.112 -4.806 1.148 1.00 2.76 H new ATOM 0 HE1 TYR A 111 0.890 -9.185 2.331 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.331 -5.152 0.925 1.00 2.96 H new ATOM 0 HH TYR A 111 2.844 -8.324 1.661 1.00 2.67 H new ATOM 1575 N ALA A 112 -6.111 -8.100 1.952 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.558 -7.792 1.786 1.00 2.71 C ATOM 1577 C ALA A 112 -8.080 -7.051 3.018 1.00 2.50 C ATOM 1578 O ALA A 112 -7.643 -7.282 4.127 1.00 2.65 O ATOM 1579 CB ALA A 112 -8.337 -9.098 1.607 1.00 3.41 C ATOM 0 H ALA A 112 -5.899 -8.849 2.611 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.692 -7.160 0.908 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.397 -8.876 1.485 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.972 -9.621 0.723 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -8.197 -9.728 2.485 1.00 3.41 H new ATOM 1585 N PHE A 113 -9.019 -6.165 2.828 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.580 -5.410 3.984 1.00 2.20 C ATOM 1587 C PHE A 113 -11.107 -5.463 3.928 1.00 1.67 C ATOM 1588 O PHE A 113 -11.688 -5.810 2.919 1.00 1.59 O ATOM 1589 CB PHE A 113 -9.115 -3.953 3.925 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.902 -3.547 2.486 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.886 -4.147 1.733 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.719 -2.569 1.907 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -7.687 -3.769 0.399 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.519 -2.190 0.573 1.00 2.77 C ATOM 1595 CZ PHE A 113 -8.504 -2.790 -0.180 1.00 2.64 C ATOM 0 H PHE A 113 -9.422 -5.931 1.921 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.232 -5.859 4.914 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.857 -3.305 4.390 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -8.189 -3.833 4.488 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.256 -4.901 2.180 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -10.503 -2.107 2.488 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -6.904 -4.232 -0.183 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.148 -1.435 0.126 1.00 2.77 H new ATOM 0 HZ PHE A 113 -8.350 -2.498 -1.208 1.00 2.64 H new ATOM 1605 N THR A 114 -11.762 -5.127 5.005 1.00 1.53 N ATOM 1606 CA THR A 114 -13.251 -5.165 5.014 1.00 1.47 C ATOM 1607 C THR A 114 -13.807 -3.753 4.822 1.00 1.85 C ATOM 1608 O THR A 114 -13.521 -2.852 5.586 1.00 2.23 O ATOM 1609 CB THR A 114 -13.733 -5.724 6.354 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.793 -5.395 7.367 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.868 -7.245 6.257 1.00 2.22 C ATOM 0 H THR A 114 -11.330 -4.828 5.879 1.00 1.53 H new ATOM 0 HA THR A 114 -13.601 -5.802 4.202 1.00 1.47 H new ATOM 0 HB THR A 114 -14.702 -5.291 6.601 1.00 1.92 H new ATOM 0 HG1 THR A 114 -13.101 -5.751 8.227 1.00 2.12 H new ATOM 0 HG21 THR A 114 -14.211 -7.641 7.212 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.589 -7.497 5.479 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.900 -7.681 6.010 1.00 2.22 H new ATOM 1619 N SER A 115 -14.606 -3.554 3.810 1.00 2.24 N ATOM 1620 CA SER A 115 -15.187 -2.204 3.570 1.00 2.93 C ATOM 1621 C SER A 115 -16.014 -1.783 4.787 1.00 3.67 C ATOM 1622 O SER A 115 -16.852 -2.523 5.265 1.00 4.11 O ATOM 1623 CB SER A 115 -16.081 -2.249 2.329 1.00 3.21 C ATOM 1624 OG SER A 115 -15.399 -2.931 1.286 1.00 4.06 O ATOM 0 H SER A 115 -14.882 -4.270 3.138 1.00 2.24 H new ATOM 0 HA SER A 115 -14.385 -1.483 3.411 1.00 2.93 H new ATOM 0 HB2 SER A 115 -17.018 -2.756 2.559 1.00 3.21 H new ATOM 0 HB3 SER A 115 -16.335 -1.237 2.013 1.00 3.21 H new ATOM 0 HG SER A 115 -15.111 -3.812 1.605 1.00 4.06 H new ATOM 1630 N ASN A 116 -15.785 -0.603 5.293 1.00 3.92 N ATOM 1631 CA ASN A 116 -16.557 -0.138 6.480 1.00 4.70 C ATOM 1632 C ASN A 116 -17.422 1.064 6.090 1.00 4.40 C ATOM 1633 O ASN A 116 -18.385 1.389 6.755 1.00 4.82 O ATOM 1634 CB ASN A 116 -15.587 0.272 7.591 1.00 5.27 C ATOM 1635 CG ASN A 116 -15.580 -0.799 8.684 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -16.586 -1.431 8.937 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -14.478 -1.032 9.345 1.00 6.86 N ATOM 0 H ASN A 116 -15.097 0.060 4.936 1.00 3.92 H new ATOM 0 HA ASN A 116 -17.197 -0.946 6.835 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -14.584 0.398 7.184 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -15.884 1.233 8.011 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -14.462 -1.745 10.074 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -13.634 -0.501 9.132 1.00 6.86 H new ATOM 1644 N LEU A 117 -17.088 1.721 5.014 1.00 3.81 N ATOM 1645 CA LEU A 117 -17.892 2.898 4.578 1.00 3.59 C ATOM 1646 C LEU A 117 -17.981 2.911 3.052 1.00 3.13 C ATOM 1647 O LEU A 117 -17.904 1.886 2.406 1.00 3.28 O ATOM 1648 CB LEU A 117 -17.231 4.190 5.067 1.00 3.83 C ATOM 1649 CG LEU A 117 -16.039 3.848 5.962 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -14.947 3.186 5.121 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -15.493 5.132 6.592 1.00 4.76 C ATOM 0 H LEU A 117 -16.293 1.494 4.417 1.00 3.81 H new ATOM 0 HA LEU A 117 -18.894 2.829 5.002 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -16.901 4.786 4.216 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -17.952 4.793 5.619 1.00 3.83 H new ATOM 0 HG LEU A 117 -16.356 3.164 6.749 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -14.096 2.941 5.757 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.338 2.274 4.670 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -14.628 3.871 4.335 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.643 4.891 7.231 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.174 5.816 5.806 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -16.273 5.605 7.189 1.00 4.76 H new ATOM 1663 N THR A 118 -18.149 4.067 2.470 1.00 3.12 N ATOM 1664 CA THR A 118 -18.251 4.149 0.989 1.00 3.08 C ATOM 1665 C THR A 118 -17.199 5.122 0.453 1.00 3.13 C ATOM 1666 O THR A 118 -16.842 6.085 1.100 1.00 3.70 O ATOM 1667 CB THR A 118 -19.645 4.650 0.614 1.00 3.62 C ATOM 1668 OG1 THR A 118 -20.138 5.487 1.650 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.587 3.459 0.428 1.00 4.04 C ATOM 0 H THR A 118 -18.220 4.959 2.959 1.00 3.12 H new ATOM 0 HA THR A 118 -18.082 3.164 0.555 1.00 3.08 H new ATOM 0 HB THR A 118 -19.590 5.214 -0.317 1.00 3.62 H new ATOM 0 HG1 THR A 118 -21.031 5.811 1.411 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.580 3.819 0.161 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.208 2.816 -0.366 1.00 4.04 H new ATOM 0 HG23 THR A 118 -20.645 2.892 1.357 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.705 4.879 -0.731 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.681 5.792 -1.315 1.00 3.07 C ATOM 1679 C PHE A 119 -15.849 5.834 -2.835 1.00 2.72 C ATOM 1680 O PHE A 119 -15.279 5.034 -3.552 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.279 5.280 -0.974 1.00 3.53 C ATOM 1682 CG PHE A 119 -14.044 5.386 0.514 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.148 6.627 1.156 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.719 4.243 1.253 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.927 6.722 2.535 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -13.498 4.338 2.632 1.00 5.33 C ATOM 1687 CZ PHE A 119 -13.603 5.578 3.273 1.00 5.44 C ATOM 0 H PHE A 119 -16.966 4.088 -1.319 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.811 6.792 -0.902 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -14.172 4.244 -1.296 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.529 5.860 -1.512 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.399 7.510 0.587 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -13.639 3.286 0.759 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -14.007 7.679 3.030 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -13.247 3.455 3.201 1.00 5.33 H new ATOM 0 HZ PHE A 119 -13.434 5.652 4.337 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.628 6.763 -3.322 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.882 6.920 -4.780 1.00 2.86 C ATOM 1699 C PRO A 120 -15.750 7.673 -5.488 1.00 3.02 C ATOM 1700 O PRO A 120 -14.917 8.291 -4.855 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.177 7.731 -4.827 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.202 8.524 -3.561 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.354 7.769 -2.532 1.00 3.80 C ATOM 0 HA PRO A 120 -16.947 5.959 -5.291 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.199 8.385 -5.699 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.046 7.077 -4.897 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -17.804 9.525 -3.727 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.224 8.643 -3.203 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.667 8.439 -2.015 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.977 7.301 -1.770 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.725 7.619 -6.793 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.684 8.304 -7.606 1.00 3.45 C ATOM 1713 C PRO A 121 -14.976 9.797 -7.772 1.00 3.18 C ATOM 1714 O PRO A 121 -14.121 10.570 -8.157 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.762 7.592 -8.956 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.173 7.111 -9.066 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.689 6.899 -7.640 1.00 2.74 C ATOM 0 HA PRO A 121 -13.700 8.252 -7.140 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.512 8.269 -9.773 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.058 6.761 -9.004 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.788 7.840 -9.594 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.220 6.182 -9.635 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.698 7.294 -7.519 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.729 5.840 -7.385 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.181 10.207 -7.485 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.531 11.648 -7.625 1.00 2.65 C ATOM 1727 C ASP A 122 -16.727 12.264 -6.239 1.00 2.94 C ATOM 1728 O ASP A 122 -17.408 11.713 -5.396 1.00 3.74 O ATOM 1729 CB ASP A 122 -17.825 11.783 -8.432 1.00 2.79 C ATOM 1730 CG ASP A 122 -17.633 12.824 -9.536 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -17.809 13.997 -9.253 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -17.313 12.430 -10.645 1.00 3.56 O ATOM 0 H ASP A 122 -16.938 9.606 -7.160 1.00 2.63 H new ATOM 0 HA ASP A 122 -15.725 12.168 -8.142 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.096 10.821 -8.868 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.645 12.079 -7.777 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.135 13.400 -5.994 1.00 2.81 N ATOM 1738 CA GLY A 123 -16.289 14.049 -4.661 1.00 3.57 C ATOM 1739 C GLY A 123 -14.973 14.720 -4.264 1.00 3.16 C ATOM 1740 O GLY A 123 -14.227 15.190 -5.100 1.00 3.47 O ATOM 0 H GLY A 123 -15.551 13.907 -6.659 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -17.090 14.787 -4.695 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -16.571 13.307 -3.914 1.00 3.57 H new ATOM 1744 N ASP A 124 -14.680 14.768 -2.994 1.00 2.78 N ATOM 1745 CA ASP A 124 -13.411 15.409 -2.544 1.00 2.58 C ATOM 1746 C ASP A 124 -12.469 14.339 -1.989 1.00 2.15 C ATOM 1747 O ASP A 124 -11.667 14.599 -1.114 1.00 2.31 O ATOM 1748 CB ASP A 124 -13.718 16.435 -1.452 1.00 3.01 C ATOM 1749 CG ASP A 124 -13.798 17.832 -2.071 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -14.812 18.131 -2.679 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -12.845 18.578 -1.925 1.00 3.59 O ATOM 0 H ASP A 124 -15.264 14.391 -2.248 1.00 2.78 H new ATOM 0 HA ASP A 124 -12.936 15.909 -3.388 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.660 16.189 -0.961 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -12.943 16.409 -0.686 1.00 3.01 H new ATOM 1756 N ALA A 125 -12.559 13.138 -2.490 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.667 12.054 -1.990 1.00 1.67 C ATOM 1758 C ALA A 125 -11.938 10.769 -2.775 1.00 1.39 C ATOM 1759 O ALA A 125 -12.478 9.814 -2.253 1.00 1.38 O ATOM 1760 CB ALA A 125 -11.943 11.811 -0.505 1.00 2.08 C ATOM 0 H ALA A 125 -13.211 12.860 -3.224 1.00 1.83 H new ATOM 0 HA ALA A 125 -10.626 12.349 -2.123 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -11.291 11.018 -0.139 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -11.752 12.726 0.055 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -12.984 11.515 -0.372 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.560 10.750 -4.025 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.758 9.569 -4.911 1.00 1.14 C ATOM 1768 C PRO A 126 -10.793 8.427 -4.577 1.00 1.05 C ATOM 1769 O PRO A 126 -10.261 8.351 -3.487 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.475 10.114 -6.313 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.576 11.288 -6.110 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.901 11.862 -4.729 1.00 1.39 C ATOM 0 HA PRO A 126 -12.756 9.144 -4.802 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.999 9.359 -6.939 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.398 10.408 -6.813 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.530 10.988 -6.167 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.736 12.036 -6.887 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -9.999 12.185 -4.209 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.555 12.731 -4.802 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.563 7.540 -5.507 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.633 6.407 -5.240 1.00 1.03 C ATOM 1782 C GLY A 127 -8.222 6.948 -5.007 1.00 1.09 C ATOM 1783 O GLY A 127 -7.842 7.969 -5.545 1.00 1.19 O ATOM 0 H GLY A 127 -10.978 7.551 -6.439 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -9.967 5.846 -4.367 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.634 5.716 -6.083 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.441 6.271 -4.211 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.055 6.749 -3.947 1.00 1.26 C ATOM 1789 C GLN A 128 -5.136 5.549 -3.713 1.00 1.11 C ATOM 1790 O GLN A 128 -5.409 4.693 -2.896 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.050 7.644 -2.707 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.968 8.718 -2.855 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.295 8.955 -1.503 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -4.180 10.080 -1.058 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -3.841 7.935 -0.826 1.00 1.99 N ATOM 0 H GLN A 128 -7.702 5.409 -3.733 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.699 7.317 -4.806 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.026 8.112 -2.579 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -5.864 7.046 -1.815 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.228 8.404 -3.591 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.409 9.645 -3.221 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -3.938 6.991 -1.200 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -3.390 8.082 0.077 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.041 5.486 -4.420 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.094 4.353 -4.240 1.00 0.91 C ATOM 1806 C VAL A 129 -1.669 4.904 -4.269 1.00 0.88 C ATOM 1807 O VAL A 129 -1.345 5.755 -5.074 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.275 3.342 -5.375 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.407 2.112 -5.106 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.744 2.920 -5.454 1.00 0.89 C ATOM 0 H VAL A 129 -3.762 6.175 -5.118 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.286 3.855 -3.289 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.976 3.799 -6.318 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.536 1.392 -5.914 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.360 2.411 -5.050 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.705 1.655 -4.162 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.873 2.200 -6.262 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.043 2.463 -4.510 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.364 3.796 -5.646 1.00 0.89 H new ATOM 1820 N ALA A 130 -0.818 4.444 -3.396 1.00 0.78 N ATOM 1821 CA ALA A 130 0.573 4.973 -3.390 1.00 0.85 C ATOM 1822 C ALA A 130 1.527 3.947 -2.778 1.00 0.75 C ATOM 1823 O ALA A 130 1.510 3.697 -1.589 1.00 0.73 O ATOM 1824 CB ALA A 130 0.609 6.266 -2.574 1.00 0.98 C ATOM 0 H ALA A 130 -1.022 3.733 -2.694 1.00 0.78 H new ATOM 0 HA ALA A 130 0.889 5.172 -4.414 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.625 6.662 -2.564 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.061 6.999 -3.024 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.289 6.061 -1.552 1.00 0.98 H new ATOM 1830 N PHE A 131 2.368 3.360 -3.585 1.00 0.75 N ATOM 1831 CA PHE A 131 3.337 2.358 -3.058 1.00 0.70 C ATOM 1832 C PHE A 131 4.521 3.097 -2.433 1.00 0.77 C ATOM 1833 O PHE A 131 5.375 3.613 -3.126 1.00 0.99 O ATOM 1834 CB PHE A 131 3.839 1.481 -4.208 1.00 0.70 C ATOM 1835 CG PHE A 131 2.840 0.384 -4.496 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.492 0.546 -4.153 1.00 1.49 C ATOM 1837 CD2 PHE A 131 3.267 -0.799 -5.112 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.572 -0.474 -4.426 1.00 1.73 C ATOM 1839 CE2 PHE A 131 2.348 -1.819 -5.384 1.00 1.54 C ATOM 1840 CZ PHE A 131 1.001 -1.658 -5.041 1.00 1.48 C ATOM 0 H PHE A 131 2.426 3.532 -4.589 1.00 0.75 H new ATOM 0 HA PHE A 131 2.851 1.732 -2.310 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.991 2.089 -5.100 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.805 1.046 -3.950 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.162 1.458 -3.678 1.00 1.49 H new ATOM 0 HD2 PHE A 131 4.306 -0.924 -5.377 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.468 -0.348 -4.163 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.679 -2.731 -5.859 1.00 1.54 H new ATOM 0 HZ PHE A 131 0.292 -2.446 -5.250 1.00 1.48 H new ATOM 1850 N HIS A 132 4.576 3.163 -1.131 1.00 0.82 N ATOM 1851 CA HIS A 132 5.703 3.880 -0.471 1.00 0.96 C ATOM 1852 C HIS A 132 6.751 2.870 0.002 1.00 1.03 C ATOM 1853 O HIS A 132 6.442 1.908 0.676 1.00 1.41 O ATOM 1854 CB HIS A 132 5.174 4.664 0.732 1.00 1.41 C ATOM 1855 CG HIS A 132 4.707 6.021 0.281 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.563 6.616 0.791 1.00 1.70 N ATOM 1857 CD2 HIS A 132 5.216 6.912 -0.632 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.423 7.811 0.189 1.00 1.96 C ATOM 1859 NE2 HIS A 132 4.404 8.041 -0.687 1.00 2.32 N ATOM 0 H HIS A 132 3.891 2.752 -0.497 1.00 0.82 H new ATOM 0 HA HIS A 132 6.159 4.567 -1.184 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.352 4.122 1.200 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.956 4.768 1.484 1.00 1.41 H new ATOM 0 HD2 HIS A 132 6.110 6.760 -1.218 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.616 8.500 0.390 1.00 1.96 H new ATOM 0 HE2 HIS A 132 4.531 8.867 -1.271 1.00 2.32 H new ATOM 1867 N LEU A 133 7.990 3.085 -0.348 1.00 1.00 N ATOM 1868 CA LEU A 133 9.059 2.140 0.081 1.00 1.39 C ATOM 1869 C LEU A 133 10.290 2.932 0.528 1.00 1.62 C ATOM 1870 O LEU A 133 11.013 2.524 1.414 1.00 2.04 O ATOM 1871 CB LEU A 133 9.435 1.229 -1.089 1.00 1.58 C ATOM 1872 CG LEU A 133 8.316 1.250 -2.133 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.320 2.596 -2.860 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.543 0.123 -3.144 1.00 2.11 C ATOM 0 H LEU A 133 8.308 3.873 -0.912 1.00 1.00 H new ATOM 0 HA LEU A 133 8.696 1.533 0.911 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.371 1.562 -1.537 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.596 0.211 -0.734 1.00 1.58 H new ATOM 0 HG LEU A 133 7.355 1.108 -1.639 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.523 2.610 -3.603 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.160 3.399 -2.140 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.280 2.739 -3.355 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.747 0.136 -3.888 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.504 0.265 -3.638 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.540 -0.836 -2.626 1.00 2.11 H new ATOM 1886 N GLY A 134 10.536 4.061 -0.081 1.00 1.46 N ATOM 1887 CA GLY A 134 11.720 4.877 0.310 1.00 1.77 C ATOM 1888 C GLY A 134 11.884 4.846 1.831 1.00 1.08 C ATOM 1889 O GLY A 134 10.942 5.051 2.570 1.00 0.83 O ATOM 0 H GLY A 134 9.968 4.453 -0.832 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.617 4.488 -0.171 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.595 5.905 -0.032 1.00 1.77 H new ATOM 1893 N LYS A 135 13.075 4.593 2.304 1.00 1.23 N ATOM 1894 CA LYS A 135 13.296 4.549 3.778 1.00 1.09 C ATOM 1895 C LYS A 135 14.794 4.596 4.073 1.00 1.32 C ATOM 1896 O LYS A 135 15.591 3.984 3.392 1.00 1.76 O ATOM 1897 CB LYS A 135 12.709 3.253 4.346 1.00 1.93 C ATOM 1898 CG LYS A 135 11.188 3.378 4.464 1.00 2.37 C ATOM 1899 CD LYS A 135 10.689 2.471 5.591 1.00 3.36 C ATOM 1900 CE LYS A 135 9.217 2.776 5.878 1.00 4.04 C ATOM 1901 NZ LYS A 135 8.629 1.669 6.683 1.00 5.06 N ATOM 0 H LYS A 135 13.902 4.415 1.735 1.00 1.23 H new ATOM 0 HA LYS A 135 12.806 5.406 4.241 1.00 1.09 H new ATOM 0 HB2 LYS A 135 12.965 2.414 3.699 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.143 3.045 5.324 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.912 4.413 4.666 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.715 3.100 3.522 1.00 2.37 H new ATOM 0 HD2 LYS A 135 10.806 1.425 5.309 1.00 3.36 H new ATOM 0 HD3 LYS A 135 11.286 2.628 6.490 1.00 3.36 H new ATOM 0 HE2 LYS A 135 9.128 3.719 6.417 1.00 4.04 H new ATOM 0 HE3 LYS A 135 8.669 2.891 4.943 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 7.968 1.124 6.093 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 9.388 1.044 7.020 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 8.119 2.065 7.498 1.00 5.06 H new ATOM 1915 N ALA A 136 15.186 5.315 5.092 1.00 1.56 N ATOM 1916 CA ALA A 136 16.634 5.387 5.430 1.00 1.90 C ATOM 1917 C ALA A 136 17.247 4.000 5.242 1.00 2.22 C ATOM 1918 O ALA A 136 18.442 3.848 5.088 1.00 2.64 O ATOM 1919 CB ALA A 136 16.800 5.831 6.885 1.00 2.27 C ATOM 0 H ALA A 136 14.568 5.852 5.701 1.00 1.56 H new ATOM 0 HA ALA A 136 17.134 6.106 4.781 1.00 1.90 H new ATOM 0 HB1 ALA A 136 17.861 5.883 7.131 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.348 6.814 7.019 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.310 5.113 7.543 1.00 2.27 H new ATOM 1925 N GLY A 137 16.425 2.987 5.248 1.00 2.17 N ATOM 1926 CA GLY A 137 16.938 1.602 5.063 1.00 2.51 C ATOM 1927 C GLY A 137 16.209 0.951 3.887 1.00 1.81 C ATOM 1928 O GLY A 137 16.278 -0.245 3.688 1.00 2.11 O ATOM 0 H GLY A 137 15.415 3.060 5.374 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.012 1.621 4.876 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.783 1.019 5.971 1.00 2.51 H new ATOM 1932 N ALA A 138 15.505 1.732 3.110 1.00 1.23 N ATOM 1933 CA ALA A 138 14.766 1.162 1.947 1.00 1.37 C ATOM 1934 C ALA A 138 15.705 0.286 1.111 1.00 1.13 C ATOM 1935 O ALA A 138 16.767 -0.104 1.554 1.00 1.41 O ATOM 1936 CB ALA A 138 14.224 2.302 1.083 1.00 2.32 C ATOM 0 H ALA A 138 15.410 2.740 3.231 1.00 1.23 H new ATOM 0 HA ALA A 138 13.939 0.552 2.310 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.683 1.888 0.232 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.549 2.919 1.676 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.053 2.912 0.724 1.00 2.32 H new ATOM 1942 N TYR A 139 15.320 -0.032 -0.095 1.00 0.82 N ATOM 1943 CA TYR A 139 16.184 -0.890 -0.954 1.00 0.75 C ATOM 1944 C TYR A 139 15.678 -0.836 -2.399 1.00 0.76 C ATOM 1945 O TYR A 139 14.945 0.058 -2.772 1.00 0.83 O ATOM 1946 CB TYR A 139 16.127 -2.329 -0.437 1.00 0.74 C ATOM 1947 CG TYR A 139 14.767 -2.592 0.161 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.529 -2.308 1.512 1.00 1.41 C ATOM 1949 CD2 TYR A 139 13.741 -3.114 -0.636 1.00 1.42 C ATOM 1950 CE1 TYR A 139 13.267 -2.548 2.065 1.00 1.42 C ATOM 1951 CE2 TYR A 139 12.479 -3.354 -0.082 1.00 1.61 C ATOM 1952 CZ TYR A 139 12.241 -3.071 1.268 1.00 1.11 C ATOM 1953 OH TYR A 139 10.997 -3.308 1.815 1.00 1.32 O ATOM 0 H TYR A 139 14.443 0.266 -0.523 1.00 0.82 H new ATOM 0 HA TYR A 139 17.213 -0.532 -0.923 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.320 -3.028 -1.251 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.903 -2.489 0.311 1.00 0.74 H new ATOM 0 HD1 TYR A 139 15.320 -1.904 2.126 1.00 1.41 H new ATOM 0 HD2 TYR A 139 13.924 -3.331 -1.678 1.00 1.42 H new ATOM 0 HE1 TYR A 139 13.084 -2.330 3.107 1.00 1.42 H new ATOM 0 HE2 TYR A 139 11.688 -3.758 -0.696 1.00 1.61 H new ATOM 0 HH TYR A 139 10.969 -2.956 2.729 1.00 1.32 H new ATOM 1963 N GLU A 140 16.062 -1.779 -3.215 1.00 0.80 N ATOM 1964 CA GLU A 140 15.598 -1.769 -4.632 1.00 0.87 C ATOM 1965 C GLU A 140 14.194 -2.370 -4.720 1.00 0.77 C ATOM 1966 O GLU A 140 13.813 -3.206 -3.924 1.00 0.73 O ATOM 1967 CB GLU A 140 16.560 -2.596 -5.489 1.00 1.13 C ATOM 1968 CG GLU A 140 17.410 -1.661 -6.350 1.00 0.93 C ATOM 1969 CD GLU A 140 18.168 -2.479 -7.398 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.307 -3.674 -7.201 1.00 1.65 O ATOM 1971 OE2 GLU A 140 18.594 -1.895 -8.380 1.00 1.25 O ATOM 0 H GLU A 140 16.675 -2.554 -2.963 1.00 0.80 H new ATOM 0 HA GLU A 140 15.574 -0.742 -4.996 1.00 0.87 H new ATOM 0 HB2 GLU A 140 17.202 -3.203 -4.851 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.000 -3.283 -6.124 1.00 1.13 H new ATOM 0 HG2 GLU A 140 16.775 -0.923 -6.839 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.113 -1.112 -5.724 1.00 0.93 H new ATOM 1978 N PHE A 141 13.420 -1.950 -5.685 1.00 0.77 N ATOM 1979 CA PHE A 141 12.038 -2.495 -5.828 1.00 0.75 C ATOM 1980 C PHE A 141 11.754 -2.773 -7.305 1.00 0.72 C ATOM 1981 O PHE A 141 11.685 -1.868 -8.112 1.00 0.73 O ATOM 1982 CB PHE A 141 11.031 -1.472 -5.298 1.00 0.79 C ATOM 1983 CG PHE A 141 9.723 -2.161 -4.992 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.679 -3.195 -4.050 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.553 -1.762 -5.650 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.466 -3.832 -3.766 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.340 -2.399 -5.365 1.00 1.68 C ATOM 1988 CZ PHE A 141 7.296 -3.434 -4.424 1.00 1.00 C ATOM 0 H PHE A 141 13.685 -1.253 -6.381 1.00 0.77 H new ATOM 0 HA PHE A 141 11.949 -3.421 -5.259 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.421 -0.995 -4.399 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.875 -0.684 -6.035 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.582 -3.501 -3.542 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.587 -0.964 -6.377 1.00 1.64 H new ATOM 0 HE1 PHE A 141 8.432 -4.630 -3.039 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.437 -2.092 -5.872 1.00 1.68 H new ATOM 0 HZ PHE A 141 6.360 -3.926 -4.205 1.00 1.00 H new ATOM 1998 N CYS A 142 11.598 -4.018 -7.671 1.00 0.70 N ATOM 1999 CA CYS A 142 11.329 -4.346 -9.097 1.00 0.68 C ATOM 2000 C CYS A 142 9.864 -4.749 -9.278 1.00 0.68 C ATOM 2001 O CYS A 142 9.492 -5.885 -9.066 1.00 0.74 O ATOM 2002 CB CYS A 142 12.231 -5.506 -9.520 1.00 0.68 C ATOM 2003 SG CYS A 142 13.869 -4.871 -9.959 1.00 0.72 S ATOM 0 H CYS A 142 11.646 -4.820 -7.042 1.00 0.70 H new ATOM 0 HA CYS A 142 11.533 -3.470 -9.713 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.315 -6.229 -8.709 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.793 -6.030 -10.370 1.00 0.68 H new ATOM 2008 N ILE A 143 9.031 -3.825 -9.679 1.00 0.83 N ATOM 2009 CA ILE A 143 7.593 -4.151 -9.890 1.00 0.89 C ATOM 2010 C ILE A 143 7.308 -4.188 -11.388 1.00 0.92 C ATOM 2011 O ILE A 143 7.792 -3.373 -12.149 1.00 0.91 O ATOM 2012 CB ILE A 143 6.722 -3.096 -9.198 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.695 -2.516 -10.177 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.611 -1.968 -8.672 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.791 -1.525 -9.441 1.00 1.22 C ATOM 0 H ILE A 143 9.287 -2.856 -9.870 1.00 0.83 H new ATOM 0 HA ILE A 143 7.361 -5.125 -9.460 1.00 0.89 H new ATOM 0 HB ILE A 143 6.191 -3.570 -8.372 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.204 -2.017 -11.001 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.097 -3.318 -10.610 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.993 -1.217 -8.180 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.328 -2.373 -7.958 1.00 0.92 H new ATOM 0 HG23 ILE A 143 8.146 -1.509 -9.503 1.00 0.92 H new ATOM 0 HD11 ILE A 143 4.061 -1.112 -10.137 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.271 -2.038 -8.632 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.396 -0.717 -9.029 1.00 1.22 H new ATOM 2027 N SER A 144 6.530 -5.139 -11.814 1.00 1.00 N ATOM 2028 CA SER A 144 6.210 -5.248 -13.262 1.00 1.07 C ATOM 2029 C SER A 144 4.706 -5.446 -13.444 1.00 1.14 C ATOM 2030 O SER A 144 4.182 -5.309 -14.532 1.00 1.33 O ATOM 2031 CB SER A 144 6.955 -6.445 -13.854 1.00 1.17 C ATOM 2032 OG SER A 144 6.382 -7.646 -13.354 1.00 1.28 O ATOM 0 H SER A 144 6.100 -5.848 -11.220 1.00 1.00 H new ATOM 0 HA SER A 144 6.517 -4.334 -13.771 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.894 -6.424 -14.942 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.012 -6.396 -13.593 1.00 1.17 H new ATOM 0 HG SER A 144 7.043 -8.368 -13.401 1.00 1.28 H new ATOM 2038 N GLN A 145 4.002 -5.767 -12.393 1.00 1.08 N ATOM 2039 CA GLN A 145 2.531 -5.972 -12.534 1.00 1.29 C ATOM 2040 C GLN A 145 1.815 -5.554 -11.248 1.00 1.38 C ATOM 2041 O GLN A 145 2.419 -5.392 -10.207 1.00 1.99 O ATOM 2042 CB GLN A 145 2.226 -7.448 -12.819 1.00 1.40 C ATOM 2043 CG GLN A 145 3.498 -8.182 -13.251 1.00 1.94 C ATOM 2044 CD GLN A 145 3.889 -7.741 -14.663 1.00 2.35 C ATOM 2045 OE1 GLN A 145 3.124 -7.083 -15.340 1.00 2.30 O ATOM 2046 NE2 GLN A 145 5.054 -8.081 -15.142 1.00 3.30 N ATOM 0 H GLN A 145 4.376 -5.895 -11.453 1.00 1.08 H new ATOM 0 HA GLN A 145 2.177 -5.361 -13.364 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.812 -7.919 -11.928 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.470 -7.525 -13.601 1.00 1.40 H new ATOM 0 HG2 GLN A 145 4.308 -7.967 -12.554 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.334 -9.259 -13.228 1.00 1.94 H new ATOM 0 HE21 GLN A 145 5.697 -8.633 -14.575 1.00 3.30 H new ATOM 0 HE22 GLN A 145 5.322 -7.794 -16.084 1.00 3.30 H new ATOM 2055 N VAL A 146 0.522 -5.382 -11.322 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.260 -4.979 -10.118 1.00 1.53 C ATOM 2057 C VAL A 146 -1.740 -4.891 -10.494 1.00 1.48 C ATOM 2058 O VAL A 146 -2.110 -4.214 -11.433 1.00 1.44 O ATOM 2059 CB VAL A 146 0.223 -3.615 -9.623 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.266 -2.523 -10.577 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.338 -3.356 -8.224 1.00 2.16 C ATOM 0 H VAL A 146 -0.029 -5.504 -12.171 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.122 -5.716 -9.327 1.00 1.53 H new ATOM 0 HB VAL A 146 1.312 -3.605 -9.588 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.078 -1.551 -10.224 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.130 -2.708 -11.575 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.355 -2.531 -10.612 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.005 -2.384 -7.869 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.427 -3.365 -8.261 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.008 -4.134 -7.543 1.00 2.16 H new ATOM 2071 N SER A 147 -2.593 -5.573 -9.777 1.00 1.63 N ATOM 2072 CA SER A 147 -4.042 -5.522 -10.111 1.00 1.76 C ATOM 2073 C SER A 147 -4.875 -5.475 -8.829 1.00 2.04 C ATOM 2074 O SER A 147 -4.506 -6.033 -7.815 1.00 2.17 O ATOM 2075 CB SER A 147 -4.422 -6.763 -10.920 1.00 2.02 C ATOM 2076 OG SER A 147 -3.239 -7.425 -11.347 1.00 2.76 O ATOM 0 H SER A 147 -2.349 -6.160 -8.979 1.00 1.63 H new ATOM 0 HA SER A 147 -4.241 -4.625 -10.698 1.00 1.76 H new ATOM 0 HB2 SER A 147 -5.030 -7.435 -10.314 1.00 2.02 H new ATOM 0 HB3 SER A 147 -5.025 -6.479 -11.782 1.00 2.02 H new ATOM 0 HG SER A 147 -3.479 -8.222 -11.864 1.00 2.76 H new ATOM 2082 N LEU A 148 -6.000 -4.812 -8.871 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.866 -4.727 -7.661 1.00 2.65 C ATOM 2084 C LEU A 148 -8.204 -5.410 -7.950 1.00 2.54 C ATOM 2085 O LEU A 148 -8.794 -5.219 -8.996 1.00 3.02 O ATOM 2086 CB LEU A 148 -7.106 -3.256 -7.314 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.199 -3.148 -6.249 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -7.778 -3.925 -5.000 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -8.409 -1.677 -5.886 1.00 3.26 C ATOM 0 H LEU A 148 -6.356 -4.325 -9.693 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.378 -5.223 -6.822 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -6.184 -2.803 -6.949 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -7.400 -2.705 -8.207 1.00 3.24 H new ATOM 0 HG LEU A 148 -9.127 -3.566 -6.638 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.558 -3.847 -4.243 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -7.626 -4.973 -5.258 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -6.849 -3.509 -4.609 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -9.187 -1.597 -5.127 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.479 -1.262 -5.497 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -8.710 -1.122 -6.775 1.00 3.26 H new ATOM 2101 N THR A 149 -8.692 -6.205 -7.037 1.00 2.09 N ATOM 2102 CA THR A 149 -9.991 -6.896 -7.271 1.00 2.24 C ATOM 2103 C THR A 149 -10.695 -7.139 -5.934 1.00 1.93 C ATOM 2104 O THR A 149 -10.219 -6.742 -4.890 1.00 1.84 O ATOM 2105 CB THR A 149 -9.740 -8.236 -7.966 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.752 -9.159 -7.588 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.371 -8.779 -7.553 1.00 2.42 C ATOM 0 H THR A 149 -8.248 -6.405 -6.141 1.00 2.09 H new ATOM 0 HA THR A 149 -10.622 -6.271 -7.903 1.00 2.24 H new ATOM 0 HB THR A 149 -9.760 -8.095 -9.047 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.371 -9.291 -8.336 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.194 -9.733 -8.049 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.596 -8.070 -7.843 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.347 -8.921 -6.473 1.00 2.42 H new ATOM 2115 N THR A 150 -11.827 -7.788 -5.961 1.00 1.92 N ATOM 2116 CA THR A 150 -12.563 -8.055 -4.693 1.00 1.72 C ATOM 2117 C THR A 150 -13.014 -9.517 -4.660 1.00 1.75 C ATOM 2118 O THR A 150 -12.404 -10.379 -5.260 1.00 2.00 O ATOM 2119 CB THR A 150 -13.790 -7.145 -4.615 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.201 -7.022 -3.260 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.928 -7.748 -5.442 1.00 1.66 C ATOM 0 H THR A 150 -12.274 -8.145 -6.806 1.00 1.92 H new ATOM 0 HA THR A 150 -11.906 -7.858 -3.846 1.00 1.72 H new ATOM 0 HB THR A 150 -13.539 -6.161 -5.010 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.556 -7.477 -2.680 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.802 -7.099 -5.386 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.612 -7.842 -6.481 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.181 -8.733 -5.049 1.00 1.66 H new