USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot -167:sc= 0.61 USER MOD Set 1.2: A 94 SER OG : rot 110:sc= 0.543 USER MOD Set 2.1: A 41 TYR OH : rot -17:sc= 1.01 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.83 K(o=3,f=-5.9!) USER MOD Set 2.3: A 85 SER OG : rot -100:sc= 0.183 USER MOD Set 3.1: A 34 SER OG : rot -91:sc= 0.816 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -150:sc= 0.134 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.3!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0977 USER MOD Single : A 45 SER OG : rot 81:sc= 1.49 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.288 F(o=-1.5!,f=-0.29) USER MOD Single : A 60 SER OG : rot -37:sc= 0.00194 USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00521 USER MOD Single : A 68 SER OG : rot -74:sc= 1.18 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.402 USER MOD Single : A 81 ASN : amide:sc= 1.01 K(o=1,f=-0.38) USER MOD Single : A 84 GLN :FLIP amide:sc= 0.442 F(o=-0.12,f=0.44) USER MOD Single : A 86 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.018) USER MOD Single : A 87 MET CE :methyl 173:sc= 0 (180deg=-0.0661) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 63:sc= 1.11 USER MOD Single : A 98 THR OG1 : rot -16:sc= 0.715 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -11.547 -7.364 -2.031 1.00 0.00 N ATOM 27 CA PRO A 3 -10.238 -6.968 -2.504 1.00 0.00 C ATOM 28 C PRO A 3 -10.114 -6.782 -4.010 1.00 0.00 C ATOM 29 O PRO A 3 -11.003 -7.151 -4.780 1.00 0.00 O ATOM 30 CB PRO A 3 -9.300 -8.078 -2.021 1.00 0.00 C ATOM 31 CG PRO A 3 -10.189 -9.316 -2.020 1.00 0.00 C ATOM 32 CD PRO A 3 -11.527 -8.745 -1.569 1.00 0.00 C ATOM 0 HA PRO A 3 -10.000 -5.979 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.444 -8.198 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.905 -7.866 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.253 -9.773 -3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.821 -10.082 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.356 -9.311 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.628 -8.796 -0.485 1.00 0.00 H new ATOM 40 N ILE A 4 -8.975 -6.225 -4.415 1.00 0.00 N ATOM 41 CA ILE A 4 -8.557 -6.069 -5.792 1.00 0.00 C ATOM 42 C ILE A 4 -7.353 -7.001 -5.917 1.00 0.00 C ATOM 43 O ILE A 4 -6.419 -6.937 -5.109 1.00 0.00 O ATOM 44 CB ILE A 4 -8.193 -4.610 -6.161 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.279 -3.564 -5.818 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.923 -4.524 -7.676 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.267 -3.093 -4.362 1.00 0.00 C ATOM 0 H ILE A 4 -8.291 -5.855 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.362 -6.315 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.316 -4.368 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.150 -2.698 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.258 -3.988 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.666 -3.499 -7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.096 -5.185 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.816 -4.828 -8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.060 -2.361 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.428 -3.946 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.304 -2.636 -4.135 1.00 0.00 H new ATOM 59 N ALA A 5 -7.358 -7.839 -6.948 1.00 0.00 N ATOM 60 CA ALA A 5 -6.239 -8.698 -7.270 1.00 0.00 C ATOM 61 C ALA A 5 -5.280 -7.837 -8.079 1.00 0.00 C ATOM 62 O ALA A 5 -5.586 -7.459 -9.217 1.00 0.00 O ATOM 63 CB ALA A 5 -6.722 -9.889 -8.097 1.00 0.00 C ATOM 0 H ALA A 5 -8.148 -7.937 -7.585 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.757 -9.097 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.876 -10.533 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.457 -10.455 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.178 -9.530 -9.020 1.00 0.00 H new ATOM 69 N ILE A 6 -4.154 -7.476 -7.472 1.00 0.00 N ATOM 70 CA ILE A 6 -3.096 -6.723 -8.130 1.00 0.00 C ATOM 71 C ILE A 6 -2.009 -7.713 -8.565 1.00 0.00 C ATOM 72 O ILE A 6 -2.091 -8.902 -8.251 1.00 0.00 O ATOM 73 CB ILE A 6 -2.671 -5.515 -7.261 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.309 -5.777 -5.788 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.825 -4.501 -7.253 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.012 -6.556 -5.618 1.00 0.00 C ATOM 0 H ILE A 6 -3.950 -7.701 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.420 -6.240 -9.052 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.747 -5.175 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.224 -4.824 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.121 -6.328 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.548 -3.639 -6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.030 -4.175 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.717 -4.968 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.815 -6.707 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.101 -7.524 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.190 -5.996 -6.064 1.00 0.00 H new ATOM 88 N THR A 7 -0.991 -7.262 -9.298 1.00 0.00 N ATOM 89 CA THR A 7 0.010 -8.167 -9.874 1.00 0.00 C ATOM 90 C THR A 7 1.369 -8.022 -9.192 1.00 0.00 C ATOM 91 O THR A 7 2.399 -8.303 -9.799 1.00 0.00 O ATOM 92 CB THR A 7 -0.021 -7.981 -11.403 1.00 0.00 C ATOM 93 OG1 THR A 7 0.514 -9.082 -12.110 1.00 0.00 O ATOM 94 CG2 THR A 7 0.631 -6.692 -11.909 1.00 0.00 C ATOM 0 H THR A 7 -0.836 -6.276 -9.508 1.00 0.00 H new ATOM 0 HA THR A 7 -0.226 -9.214 -9.681 1.00 0.00 H new ATOM 0 HB THR A 7 -1.088 -7.907 -11.612 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.466 -8.907 -13.073 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.560 -6.651 -12.996 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.118 -5.832 -11.479 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.680 -6.674 -11.613 1.00 0.00 H new ATOM 102 N CYS A 8 1.392 -7.538 -7.944 1.00 0.00 N ATOM 103 CA CYS A 8 2.617 -7.355 -7.171 1.00 0.00 C ATOM 104 C CYS A 8 3.652 -6.453 -7.873 1.00 0.00 C ATOM 105 O CYS A 8 4.838 -6.497 -7.562 1.00 0.00 O ATOM 106 CB CYS A 8 3.172 -8.731 -6.797 1.00 0.00 C ATOM 107 SG CYS A 8 2.145 -9.729 -5.691 1.00 0.00 S ATOM 0 H CYS A 8 0.549 -7.261 -7.441 1.00 0.00 H new ATOM 0 HA CYS A 8 2.376 -6.812 -6.257 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.337 -9.296 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.146 -8.592 -6.329 1.00 0.00 H new ATOM 112 N PHE A 9 3.216 -5.648 -8.841 1.00 0.00 N ATOM 113 CA PHE A 9 4.018 -4.637 -9.520 1.00 0.00 C ATOM 114 C PHE A 9 3.300 -3.295 -9.427 1.00 0.00 C ATOM 115 O PHE A 9 3.940 -2.259 -9.255 1.00 0.00 O ATOM 116 CB PHE A 9 4.243 -5.007 -10.989 1.00 0.00 C ATOM 117 CG PHE A 9 5.100 -3.978 -11.695 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.478 -3.954 -11.440 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.533 -3.013 -12.548 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.300 -2.988 -12.042 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.352 -2.035 -13.144 1.00 0.00 C ATOM 122 CZ PHE A 9 6.735 -2.025 -12.893 1.00 0.00 C ATOM 0 H PHE A 9 2.257 -5.686 -9.185 1.00 0.00 H new ATOM 0 HA PHE A 9 4.993 -4.576 -9.037 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.722 -5.984 -11.050 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.282 -5.091 -11.496 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.912 -4.685 -10.774 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.471 -3.023 -12.745 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.363 -2.986 -11.851 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.917 -1.291 -13.795 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.363 -1.277 -13.355 1.00 0.00 H new ATOM 132 N THR A 10 1.970 -3.349 -9.500 1.00 0.00 N ATOM 133 CA THR A 10 1.009 -2.284 -9.335 1.00 0.00 C ATOM 134 C THR A 10 1.520 -1.201 -8.381 1.00 0.00 C ATOM 135 O THR A 10 1.841 -1.476 -7.220 1.00 0.00 O ATOM 136 CB THR A 10 -0.286 -2.960 -8.858 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.633 -4.025 -9.740 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.457 -1.994 -8.803 1.00 0.00 C ATOM 0 H THR A 10 1.503 -4.234 -9.696 1.00 0.00 H new ATOM 0 HA THR A 10 0.831 -1.749 -10.268 1.00 0.00 H new ATOM 0 HB THR A 10 -0.093 -3.331 -7.851 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.607 -4.134 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.348 -2.521 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.227 -1.183 -8.113 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.638 -1.584 -9.797 1.00 0.00 H new ATOM 146 N ARG A 11 1.662 0.024 -8.891 1.00 0.00 N ATOM 147 CA ARG A 11 2.007 1.156 -8.044 1.00 0.00 C ATOM 148 C ARG A 11 0.727 1.583 -7.333 1.00 0.00 C ATOM 149 O ARG A 11 -0.378 1.228 -7.749 1.00 0.00 O ATOM 150 CB ARG A 11 2.517 2.361 -8.852 1.00 0.00 C ATOM 151 CG ARG A 11 3.598 2.141 -9.906 1.00 0.00 C ATOM 152 CD ARG A 11 4.991 1.913 -9.324 1.00 0.00 C ATOM 153 NE ARG A 11 5.280 0.483 -9.184 1.00 0.00 N ATOM 154 CZ ARG A 11 6.464 -0.115 -9.400 1.00 0.00 C ATOM 155 NH1 ARG A 11 7.528 0.581 -9.786 1.00 0.00 N ATOM 156 NH2 ARG A 11 6.563 -1.422 -9.206 1.00 0.00 N ATOM 0 H ARG A 11 1.544 0.252 -9.878 1.00 0.00 H new ATOM 0 HA ARG A 11 2.800 0.852 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.658 2.810 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.894 3.097 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.325 1.281 -10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.628 3.007 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.738 2.376 -9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.065 2.399 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 11 4.507 -0.117 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.455 1.589 -9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.417 0.107 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.750 -1.955 -8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.453 -1.895 -9.364 1.00 0.00 H new ATOM 170 N GLY A 12 0.865 2.446 -6.335 1.00 0.00 N ATOM 171 CA GLY A 12 -0.272 3.042 -5.644 1.00 0.00 C ATOM 172 C GLY A 12 -1.139 3.895 -6.580 1.00 0.00 C ATOM 173 O GLY A 12 -2.288 4.191 -6.257 1.00 0.00 O ATOM 0 H GLY A 12 1.771 2.753 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.882 2.253 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.088 3.660 -4.822 1.00 0.00 H new ATOM 177 N LEU A 13 -0.625 4.205 -7.773 1.00 0.00 N ATOM 178 CA LEU A 13 -1.234 5.052 -8.785 1.00 0.00 C ATOM 179 C LEU A 13 -2.469 4.362 -9.362 1.00 0.00 C ATOM 180 O LEU A 13 -3.434 5.039 -9.717 1.00 0.00 O ATOM 181 CB LEU A 13 -0.228 5.254 -9.939 1.00 0.00 C ATOM 182 CG LEU A 13 1.133 5.864 -9.549 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.128 5.766 -10.702 1.00 0.00 C ATOM 184 CD2 LEU A 13 0.993 7.331 -9.154 1.00 0.00 C ATOM 0 H LEU A 13 0.283 3.846 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.510 6.005 -8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.049 4.288 -10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.690 5.896 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 13 1.500 5.293 -8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.079 6.204 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.278 4.719 -10.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.739 6.305 -11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.971 7.730 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.589 7.897 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.319 7.415 -8.301 1.00 0.00 H new ATOM 196 N ASP A 14 -2.451 3.030 -9.447 1.00 0.00 N ATOM 197 CA ASP A 14 -3.563 2.190 -9.875 1.00 0.00 C ATOM 198 C ASP A 14 -4.808 2.182 -9.005 1.00 0.00 C ATOM 199 O ASP A 14 -5.894 1.990 -9.561 1.00 0.00 O ATOM 200 CB ASP A 14 -3.124 0.729 -10.025 1.00 0.00 C ATOM 201 CG ASP A 14 -2.442 0.382 -11.340 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.247 0.662 -11.558 1.00 0.00 O ATOM 203 OD2 ASP A 14 -3.135 -0.279 -12.152 1.00 0.00 O ATOM 0 H ASP A 14 -1.622 2.487 -9.208 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.845 2.659 -10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.444 0.486 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.000 0.091 -9.911 1.00 0.00 H new ATOM 208 N ILE A 15 -4.671 2.242 -7.678 1.00 0.00 N ATOM 209 CA ILE A 15 -5.800 2.106 -6.758 1.00 0.00 C ATOM 210 C ILE A 15 -5.812 3.300 -5.813 1.00 0.00 C ATOM 211 O ILE A 15 -5.067 3.341 -4.833 1.00 0.00 O ATOM 212 CB ILE A 15 -5.805 0.722 -6.073 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.787 -0.391 -7.147 1.00 0.00 C ATOM 214 CG2 ILE A 15 -7.061 0.579 -5.193 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.785 -1.805 -6.584 1.00 0.00 C ATOM 0 H ILE A 15 -3.775 2.386 -7.213 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.746 2.130 -7.299 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.919 0.629 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.657 -0.271 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.905 -0.261 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.059 -0.399 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.062 1.358 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.952 0.677 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.772 -2.523 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.901 -1.948 -5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.681 -1.958 -5.982 1.00 0.00 H new ATOM 227 N ARG A 16 -6.670 4.277 -6.093 1.00 0.00 N ATOM 228 CA ARG A 16 -6.743 5.534 -5.355 1.00 0.00 C ATOM 229 C ARG A 16 -8.122 5.658 -4.706 1.00 0.00 C ATOM 230 O ARG A 16 -8.685 6.747 -4.634 1.00 0.00 O ATOM 231 CB ARG A 16 -6.330 6.706 -6.270 1.00 0.00 C ATOM 232 CG ARG A 16 -4.953 6.446 -6.921 1.00 0.00 C ATOM 233 CD ARG A 16 -4.286 7.670 -7.556 1.00 0.00 C ATOM 234 NE ARG A 16 -5.174 8.410 -8.473 1.00 0.00 N ATOM 235 CZ ARG A 16 -5.396 9.732 -8.457 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.871 10.509 -7.515 1.00 0.00 N ATOM 237 NH2 ARG A 16 -6.156 10.292 -9.387 1.00 0.00 N ATOM 0 H ARG A 16 -7.347 4.216 -6.854 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.029 5.559 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.082 6.847 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.293 7.628 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.283 6.040 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.071 5.679 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.950 8.342 -6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.398 7.349 -8.101 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.663 7.866 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.286 10.102 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.053 11.513 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.574 9.717 -10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.323 11.298 -9.372 1.00 0.00 H new ATOM 251 N LYS A 17 -8.666 4.542 -4.217 1.00 0.00 N ATOM 252 CA LYS A 17 -9.928 4.506 -3.489 1.00 0.00 C ATOM 253 C LYS A 17 -9.706 5.096 -2.099 1.00 0.00 C ATOM 254 O LYS A 17 -8.562 5.180 -1.642 1.00 0.00 O ATOM 255 CB LYS A 17 -10.364 3.047 -3.315 1.00 0.00 C ATOM 256 CG LYS A 17 -10.572 2.298 -4.634 1.00 0.00 C ATOM 257 CD LYS A 17 -10.927 0.840 -4.347 1.00 0.00 C ATOM 258 CE LYS A 17 -11.108 0.100 -5.674 1.00 0.00 C ATOM 259 NZ LYS A 17 -12.217 -0.875 -5.631 1.00 0.00 N ATOM 0 H LYS A 17 -8.232 3.625 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.685 5.069 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.613 2.522 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.292 3.021 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.368 2.770 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.667 2.350 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.139 0.370 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.842 0.785 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.295 0.824 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.183 -0.418 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.298 -1.349 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.028 -1.583 -4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.106 -0.380 -5.417 1.00 0.00 H new ATOM 273 N GLU A 18 -10.801 5.403 -1.399 1.00 0.00 N ATOM 274 CA GLU A 18 -10.802 5.897 -0.023 1.00 0.00 C ATOM 275 C GLU A 18 -9.984 4.937 0.849 1.00 0.00 C ATOM 276 O GLU A 18 -9.112 5.352 1.612 1.00 0.00 O ATOM 277 CB GLU A 18 -12.252 5.997 0.488 1.00 0.00 C ATOM 278 CG GLU A 18 -12.385 6.965 1.674 1.00 0.00 C ATOM 279 CD GLU A 18 -12.258 8.431 1.239 1.00 0.00 C ATOM 280 OE1 GLU A 18 -12.703 8.775 0.117 1.00 0.00 O ATOM 281 OE2 GLU A 18 -11.750 9.259 2.030 1.00 0.00 O ATOM 0 H GLU A 18 -11.740 5.311 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.353 6.889 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.899 6.329 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.599 5.008 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.349 6.813 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.617 6.739 2.414 1.00 0.00 H new ATOM 288 N LYS A 19 -10.253 3.643 0.688 1.00 0.00 N ATOM 289 CA LYS A 19 -9.558 2.509 1.271 1.00 0.00 C ATOM 290 C LYS A 19 -9.656 1.392 0.239 1.00 0.00 C ATOM 291 O LYS A 19 -10.610 1.383 -0.551 1.00 0.00 O ATOM 292 CB LYS A 19 -10.179 2.112 2.622 1.00 0.00 C ATOM 293 CG LYS A 19 -11.621 1.593 2.500 1.00 0.00 C ATOM 294 CD LYS A 19 -12.225 1.259 3.865 1.00 0.00 C ATOM 295 CE LYS A 19 -13.643 0.735 3.624 1.00 0.00 C ATOM 296 NZ LYS A 19 -14.336 0.386 4.876 1.00 0.00 N ATOM 0 H LYS A 19 -11.028 3.342 0.097 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.516 2.740 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.561 1.343 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.166 2.975 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.236 2.344 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.635 0.704 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.622 0.510 4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.246 2.143 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.220 1.491 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.598 -0.144 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.291 0.037 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.802 -0.354 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.405 1.229 5.481 1.00 0.00 H new ATOM 310 N ALA A 20 -8.726 0.449 0.236 1.00 0.00 N ATOM 311 CA ALA A 20 -8.741 -0.663 -0.694 1.00 0.00 C ATOM 312 C ALA A 20 -8.060 -1.848 -0.045 1.00 0.00 C ATOM 313 O ALA A 20 -6.968 -1.699 0.495 1.00 0.00 O ATOM 314 CB ALA A 20 -7.974 -0.282 -1.961 1.00 0.00 C ATOM 0 H ALA A 20 -7.937 0.436 0.883 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.770 -0.912 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.986 -1.119 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.445 0.584 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.943 -0.040 -1.703 1.00 0.00 H new ATOM 320 N ASP A 21 -8.663 -3.024 -0.138 1.00 0.00 N ATOM 321 CA ASP A 21 -8.047 -4.259 0.323 1.00 0.00 C ATOM 322 C ASP A 21 -7.387 -4.777 -0.953 1.00 0.00 C ATOM 323 O ASP A 21 -8.052 -4.850 -1.988 1.00 0.00 O ATOM 324 CB ASP A 21 -9.083 -5.260 0.879 1.00 0.00 C ATOM 325 CG ASP A 21 -10.204 -4.630 1.708 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.936 -4.035 2.778 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.375 -4.694 1.262 1.00 0.00 O ATOM 0 H ASP A 21 -9.594 -3.149 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.354 -4.114 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.528 -5.802 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.564 -5.994 1.495 1.00 0.00 H new ATOM 332 N VAL A 22 -6.083 -5.037 -0.964 1.00 0.00 N ATOM 333 CA VAL A 22 -5.415 -5.524 -2.171 1.00 0.00 C ATOM 334 C VAL A 22 -4.645 -6.796 -1.842 1.00 0.00 C ATOM 335 O VAL A 22 -4.047 -6.916 -0.774 1.00 0.00 O ATOM 336 CB VAL A 22 -4.555 -4.414 -2.820 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.391 -3.187 -3.206 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.406 -3.911 -1.937 1.00 0.00 C ATOM 0 H VAL A 22 -5.470 -4.920 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.153 -5.786 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.138 -4.900 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.745 -2.434 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.160 -3.481 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.862 -2.773 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.853 -3.135 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.811 -3.501 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.736 -4.739 -1.705 1.00 0.00 H new ATOM 348 N LEU A 23 -4.621 -7.737 -2.780 1.00 0.00 N ATOM 349 CA LEU A 23 -3.994 -9.047 -2.633 1.00 0.00 C ATOM 350 C LEU A 23 -2.865 -9.160 -3.629 1.00 0.00 C ATOM 351 O LEU A 23 -3.023 -8.764 -4.785 1.00 0.00 O ATOM 352 CB LEU A 23 -5.002 -10.194 -2.826 1.00 0.00 C ATOM 353 CG LEU A 23 -5.888 -10.582 -1.623 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.139 -11.612 -0.767 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.347 -9.433 -0.719 1.00 0.00 C ATOM 0 H LEU A 23 -5.052 -7.605 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.608 -9.136 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.659 -9.927 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.447 -11.080 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.802 -10.978 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.756 -11.893 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.924 -12.496 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.204 -11.179 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.962 -9.829 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.476 -8.930 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.930 -8.721 -1.303 1.00 0.00 H new ATOM 367 N CYS A 24 -1.742 -9.701 -3.160 1.00 0.00 N ATOM 368 CA CYS A 24 -0.498 -9.842 -3.888 1.00 0.00 C ATOM 369 C CYS A 24 -0.263 -11.337 -4.160 1.00 0.00 C ATOM 370 O CYS A 24 0.498 -11.965 -3.414 1.00 0.00 O ATOM 371 CB CYS A 24 0.614 -9.185 -3.055 1.00 0.00 C ATOM 372 SG CYS A 24 2.202 -8.844 -3.858 1.00 0.00 S ATOM 0 H CYS A 24 -1.680 -10.070 -2.211 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.517 -9.343 -4.857 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.227 -8.242 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.807 -9.826 -2.195 1.00 0.00 H new ATOM 377 N PRO A 25 -0.918 -11.926 -5.181 1.00 0.00 N ATOM 378 CA PRO A 25 -0.691 -13.304 -5.604 1.00 0.00 C ATOM 379 C PRO A 25 0.759 -13.487 -6.058 1.00 0.00 C ATOM 380 O PRO A 25 1.419 -12.532 -6.467 1.00 0.00 O ATOM 381 CB PRO A 25 -1.683 -13.560 -6.744 1.00 0.00 C ATOM 382 CG PRO A 25 -1.929 -12.169 -7.314 1.00 0.00 C ATOM 383 CD PRO A 25 -1.868 -11.289 -6.076 1.00 0.00 C ATOM 0 HA PRO A 25 -0.847 -14.015 -4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.269 -14.234 -7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.605 -14.015 -6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.171 -11.891 -8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.896 -12.100 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.548 -10.279 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.849 -11.204 -5.608 1.00 0.00 H new ATOM 391 N GLY A 26 1.253 -14.720 -6.048 1.00 0.00 N ATOM 392 CA GLY A 26 2.658 -14.968 -6.335 1.00 0.00 C ATOM 393 C GLY A 26 3.486 -14.671 -5.088 1.00 0.00 C ATOM 394 O GLY A 26 2.981 -14.854 -3.974 1.00 0.00 O ATOM 0 H GLY A 26 0.705 -15.556 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.801 -16.004 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.988 -14.341 -7.163 1.00 0.00 H new ATOM 398 N GLY A 27 4.748 -14.265 -5.263 1.00 0.00 N ATOM 399 CA GLY A 27 5.695 -14.070 -4.169 1.00 0.00 C ATOM 400 C GLY A 27 6.308 -12.677 -4.061 1.00 0.00 C ATOM 401 O GLY A 27 6.954 -12.406 -3.051 1.00 0.00 O ATOM 0 H GLY A 27 5.142 -14.061 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.189 -14.297 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.502 -14.794 -4.279 1.00 0.00 H new ATOM 405 N CYS A 28 6.065 -11.791 -5.033 1.00 0.00 N ATOM 406 CA CYS A 28 6.663 -10.462 -5.165 1.00 0.00 C ATOM 407 C CYS A 28 8.169 -10.451 -4.834 1.00 0.00 C ATOM 408 O CYS A 28 8.544 -10.067 -3.722 1.00 0.00 O ATOM 409 CB CYS A 28 5.873 -9.424 -4.362 1.00 0.00 C ATOM 410 SG CYS A 28 6.202 -7.763 -4.993 1.00 0.00 S ATOM 0 H CYS A 28 5.410 -11.995 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 28 6.597 -10.179 -6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.806 -9.640 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.148 -9.482 -3.309 1.00 0.00 H new ATOM 415 N PRO A 29 9.028 -10.941 -5.750 1.00 0.00 N ATOM 416 CA PRO A 29 10.458 -11.099 -5.509 1.00 0.00 C ATOM 417 C PRO A 29 11.143 -9.754 -5.267 1.00 0.00 C ATOM 418 O PRO A 29 10.643 -8.711 -5.691 1.00 0.00 O ATOM 419 CB PRO A 29 11.013 -11.801 -6.750 1.00 0.00 C ATOM 420 CG PRO A 29 10.065 -11.349 -7.854 1.00 0.00 C ATOM 421 CD PRO A 29 8.720 -11.239 -7.141 1.00 0.00 C ATOM 0 HA PRO A 29 10.645 -11.682 -4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.042 -11.504 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.011 -12.885 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.372 -10.395 -8.282 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.029 -12.068 -8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.107 -10.453 -7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.156 -12.168 -7.226 1.00 0.00 H new ATOM 429 N LEU A 30 12.320 -9.788 -4.635 1.00 0.00 N ATOM 430 CA LEU A 30 13.132 -8.606 -4.355 1.00 0.00 C ATOM 431 C LEU A 30 13.835 -8.153 -5.646 1.00 0.00 C ATOM 432 O LEU A 30 15.065 -8.126 -5.722 1.00 0.00 O ATOM 433 CB LEU A 30 14.160 -8.904 -3.236 1.00 0.00 C ATOM 434 CG LEU A 30 13.626 -9.435 -1.890 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.785 -9.559 -0.894 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.529 -8.558 -1.279 1.00 0.00 C ATOM 0 H LEU A 30 12.740 -10.654 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 30 12.488 -7.800 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.874 -9.631 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.714 -7.987 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 30 13.177 -10.407 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.408 -9.934 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.530 -10.250 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.241 -8.581 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.201 -8.991 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.920 -7.556 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.684 -8.501 -1.965 1.00 0.00 H new ATOM 448 N GLU A 31 13.069 -7.750 -6.657 1.00 0.00 N ATOM 449 CA GLU A 31 13.583 -7.244 -7.923 1.00 0.00 C ATOM 450 C GLU A 31 13.813 -5.736 -7.776 1.00 0.00 C ATOM 451 O GLU A 31 14.943 -5.284 -7.589 1.00 0.00 O ATOM 452 CB GLU A 31 12.604 -7.599 -9.059 1.00 0.00 C ATOM 453 CG GLU A 31 13.154 -7.210 -10.442 1.00 0.00 C ATOM 454 CD GLU A 31 12.035 -7.108 -11.479 1.00 0.00 C ATOM 455 OE1 GLU A 31 11.452 -6.010 -11.622 1.00 0.00 O ATOM 456 OE2 GLU A 31 11.697 -8.117 -12.143 1.00 0.00 O ATOM 0 H GLU A 31 12.050 -7.767 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 31 14.536 -7.706 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.400 -8.669 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.655 -7.090 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.676 -6.255 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.886 -7.950 -10.766 1.00 0.00 H new ATOM 463 N GLU A 32 12.736 -4.951 -7.800 1.00 0.00 N ATOM 464 CA GLU A 32 12.770 -3.502 -7.768 1.00 0.00 C ATOM 465 C GLU A 32 11.663 -2.987 -6.873 1.00 0.00 C ATOM 466 O GLU A 32 10.484 -3.220 -7.165 1.00 0.00 O ATOM 467 CB GLU A 32 12.502 -2.896 -9.151 1.00 0.00 C ATOM 468 CG GLU A 32 13.681 -2.846 -10.121 1.00 0.00 C ATOM 469 CD GLU A 32 13.553 -1.562 -10.944 1.00 0.00 C ATOM 470 OE1 GLU A 32 12.537 -1.385 -11.659 1.00 0.00 O ATOM 471 OE2 GLU A 32 14.394 -0.655 -10.757 1.00 0.00 O ATOM 0 H GLU A 32 11.788 -5.326 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 32 13.761 -3.220 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.699 -3.464 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.134 -1.880 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.625 -2.858 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.677 -3.720 -10.773 1.00 0.00 H new ATOM 478 N PHE A 33 12.014 -2.235 -5.834 1.00 0.00 N ATOM 479 CA PHE A 33 11.033 -1.574 -5.001 1.00 0.00 C ATOM 480 C PHE A 33 11.503 -0.143 -4.830 1.00 0.00 C ATOM 481 O PHE A 33 12.500 0.119 -4.158 1.00 0.00 O ATOM 482 CB PHE A 33 10.851 -2.301 -3.666 1.00 0.00 C ATOM 483 CG PHE A 33 10.284 -3.703 -3.790 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.134 -3.945 -4.570 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.921 -4.780 -3.147 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.665 -5.255 -4.752 1.00 0.00 C ATOM 487 CE2 PHE A 33 10.401 -6.077 -3.270 1.00 0.00 C ATOM 488 CZ PHE A 33 9.287 -6.321 -4.085 1.00 0.00 C ATOM 0 H PHE A 33 12.981 -2.072 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 33 10.047 -1.588 -5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.815 -2.355 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.191 -1.710 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.612 -3.118 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.810 -4.608 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.826 -5.442 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.862 -6.893 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.909 -7.326 -4.199 1.00 0.00 H new ATOM 498 N SER A 34 10.734 0.775 -5.402 1.00 0.00 N ATOM 499 CA SER A 34 10.911 2.200 -5.260 1.00 0.00 C ATOM 500 C SER A 34 9.679 2.618 -4.476 1.00 0.00 C ATOM 501 O SER A 34 8.538 2.460 -4.932 1.00 0.00 O ATOM 502 CB SER A 34 11.049 2.862 -6.639 1.00 0.00 C ATOM 503 OG SER A 34 11.430 4.224 -6.529 1.00 0.00 O ATOM 0 H SER A 34 9.943 0.530 -5.998 1.00 0.00 H new ATOM 0 HA SER A 34 11.821 2.503 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.790 2.323 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.102 2.791 -7.174 1.00 0.00 H new ATOM 0 HG SER A 34 10.628 4.786 -6.497 1.00 0.00 H new ATOM 509 N VAL A 35 9.911 3.075 -3.256 1.00 0.00 N ATOM 510 CA VAL A 35 8.884 3.552 -2.356 1.00 0.00 C ATOM 511 C VAL A 35 9.210 5.014 -2.112 1.00 0.00 C ATOM 512 O VAL A 35 10.366 5.433 -2.216 1.00 0.00 O ATOM 513 CB VAL A 35 8.870 2.679 -1.088 1.00 0.00 C ATOM 514 CG1 VAL A 35 7.778 3.085 -0.094 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.610 1.219 -1.460 1.00 0.00 C ATOM 0 H VAL A 35 10.848 3.124 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 35 7.873 3.479 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 35 9.846 2.816 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.819 2.433 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.935 4.118 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.801 2.994 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.602 0.609 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.646 1.137 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.397 0.868 -2.128 1.00 0.00 H new ATOM 525 N TYR A 36 8.194 5.802 -1.799 1.00 0.00 N ATOM 526 CA TYR A 36 8.353 7.225 -1.671 1.00 0.00 C ATOM 527 C TYR A 36 7.654 7.668 -0.400 1.00 0.00 C ATOM 528 O TYR A 36 6.428 7.625 -0.329 1.00 0.00 O ATOM 529 CB TYR A 36 7.822 7.911 -2.919 1.00 0.00 C ATOM 530 CG TYR A 36 8.511 7.558 -4.219 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.117 6.427 -4.955 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.518 8.400 -4.715 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.708 6.140 -6.197 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.128 8.112 -5.943 1.00 0.00 C ATOM 535 CZ TYR A 36 9.711 6.999 -6.702 1.00 0.00 C ATOM 536 OH TYR A 36 10.277 6.747 -7.912 1.00 0.00 O ATOM 0 H TYR A 36 7.246 5.467 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 36 9.403 7.506 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.763 7.673 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.894 8.989 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.353 5.773 -4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.823 9.269 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.399 5.272 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.922 8.746 -6.310 1.00 0.00 H new ATOM 0 HH TYR A 36 10.947 7.434 -8.109 1.00 0.00 H new ATOM 546 N GLY A 37 8.444 8.066 0.592 1.00 0.00 N ATOM 547 CA GLY A 37 8.008 8.420 1.925 1.00 0.00 C ATOM 548 C GLY A 37 7.816 7.180 2.791 1.00 0.00 C ATOM 549 O GLY A 37 7.603 6.070 2.302 1.00 0.00 O ATOM 0 H GLY A 37 9.454 8.152 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.743 9.079 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.072 8.976 1.869 1.00 0.00 H new ATOM 553 N ASN A 38 8.033 7.338 4.092 1.00 0.00 N ATOM 554 CA ASN A 38 7.778 6.333 5.117 1.00 0.00 C ATOM 555 C ASN A 38 6.399 6.660 5.702 1.00 0.00 C ATOM 556 O ASN A 38 6.083 7.845 5.850 1.00 0.00 O ATOM 557 CB ASN A 38 8.891 6.389 6.168 1.00 0.00 C ATOM 558 CG ASN A 38 8.730 7.593 7.080 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.756 8.727 6.616 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.530 7.379 8.365 1.00 0.00 N ATOM 0 H ASN A 38 8.407 8.206 4.477 1.00 0.00 H new ATOM 0 HA ASN A 38 7.776 5.317 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.879 5.476 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.861 6.433 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.392 8.167 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.513 6.425 8.727 1.00 0.00 H new ATOM 567 N ILE A 39 5.612 5.650 6.090 1.00 0.00 N ATOM 568 CA ILE A 39 4.218 5.756 6.547 1.00 0.00 C ATOM 569 C ILE A 39 3.300 6.361 5.482 1.00 0.00 C ATOM 570 O ILE A 39 2.330 5.705 5.092 1.00 0.00 O ATOM 571 CB ILE A 39 4.109 6.363 7.972 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.372 5.276 9.037 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.791 7.098 8.270 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.223 4.262 9.192 1.00 0.00 C ATOM 0 H ILE A 39 5.946 4.686 6.095 1.00 0.00 H new ATOM 0 HA ILE A 39 3.825 4.747 6.672 1.00 0.00 H new ATOM 0 HB ILE A 39 4.879 7.134 8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.284 4.739 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.550 5.759 9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.813 7.485 9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.669 7.925 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.956 6.406 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.483 3.531 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.313 4.785 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.059 3.750 8.244 1.00 0.00 H new ATOM 586 N VAL A 40 3.535 7.605 5.075 1.00 0.00 N ATOM 587 CA VAL A 40 2.850 8.256 3.986 1.00 0.00 C ATOM 588 C VAL A 40 3.609 7.803 2.747 1.00 0.00 C ATOM 589 O VAL A 40 4.654 8.362 2.407 1.00 0.00 O ATOM 590 CB VAL A 40 2.866 9.787 4.107 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.131 10.392 2.907 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.183 10.269 5.388 1.00 0.00 C ATOM 0 H VAL A 40 4.235 8.201 5.517 1.00 0.00 H new ATOM 0 HA VAL A 40 1.793 7.990 3.965 1.00 0.00 H new ATOM 0 HB VAL A 40 3.908 10.106 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.138 11.479 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.630 10.092 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.101 10.036 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.218 11.358 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.144 9.939 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.699 9.855 6.254 1.00 0.00 H new ATOM 602 N TYR A 41 3.103 6.765 2.107 1.00 0.00 N ATOM 603 CA TYR A 41 3.610 6.287 0.847 1.00 0.00 C ATOM 604 C TYR A 41 2.929 7.160 -0.201 1.00 0.00 C ATOM 605 O TYR A 41 1.701 7.165 -0.309 1.00 0.00 O ATOM 606 CB TYR A 41 3.297 4.793 0.718 1.00 0.00 C ATOM 607 CG TYR A 41 3.925 3.990 1.845 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.324 3.944 1.962 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.129 3.387 2.834 1.00 0.00 C ATOM 610 CE1 TYR A 41 5.940 3.288 3.041 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.735 2.754 3.935 1.00 0.00 C ATOM 612 CZ TYR A 41 5.144 2.694 4.043 1.00 0.00 C ATOM 613 OH TYR A 41 5.722 2.112 5.129 1.00 0.00 O ATOM 0 H TYR A 41 2.313 6.225 2.460 1.00 0.00 H new ATOM 0 HA TYR A 41 4.692 6.363 0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.217 4.645 0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.664 4.425 -0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.936 4.421 1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.053 3.409 2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.017 3.239 3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.119 2.311 4.704 1.00 0.00 H new ATOM 0 HH TYR A 41 6.670 1.945 4.945 1.00 0.00 H new ATOM 623 N ALA A 42 3.683 7.984 -0.925 1.00 0.00 N ATOM 624 CA ALA A 42 3.107 8.749 -2.020 1.00 0.00 C ATOM 625 C ALA A 42 2.605 7.777 -3.088 1.00 0.00 C ATOM 626 O ALA A 42 3.149 6.678 -3.236 1.00 0.00 O ATOM 627 CB ALA A 42 4.135 9.711 -2.599 1.00 0.00 C ATOM 0 H ALA A 42 4.680 8.136 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 42 2.271 9.345 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.686 10.274 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.466 10.400 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.990 9.148 -2.973 1.00 0.00 H new ATOM 633 N SER A 43 1.619 8.219 -3.871 1.00 0.00 N ATOM 634 CA SER A 43 0.898 7.436 -4.874 1.00 0.00 C ATOM 635 C SER A 43 1.839 6.636 -5.797 1.00 0.00 C ATOM 636 O SER A 43 1.567 5.481 -6.114 1.00 0.00 O ATOM 637 CB SER A 43 0.012 8.434 -5.636 1.00 0.00 C ATOM 638 OG SER A 43 -1.076 7.859 -6.317 1.00 0.00 O ATOM 0 H SER A 43 1.286 9.182 -3.819 1.00 0.00 H new ATOM 0 HA SER A 43 0.289 6.666 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.369 9.172 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.630 8.971 -6.356 1.00 0.00 H new ATOM 0 HG SER A 43 -1.586 8.562 -6.771 1.00 0.00 H new ATOM 644 N VAL A 44 2.977 7.216 -6.186 1.00 0.00 N ATOM 645 CA VAL A 44 3.976 6.632 -7.083 1.00 0.00 C ATOM 646 C VAL A 44 4.674 5.371 -6.519 1.00 0.00 C ATOM 647 O VAL A 44 5.305 4.637 -7.278 1.00 0.00 O ATOM 648 CB VAL A 44 4.919 7.784 -7.519 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.548 8.536 -6.332 1.00 0.00 C ATOM 650 CG2 VAL A 44 5.996 7.363 -8.525 1.00 0.00 C ATOM 0 H VAL A 44 3.239 8.149 -5.869 1.00 0.00 H new ATOM 0 HA VAL A 44 3.497 6.216 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 44 4.258 8.478 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.196 9.329 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.760 8.971 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.134 7.841 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.613 8.225 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.621 6.586 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.521 6.979 -9.427 1.00 0.00 H new ATOM 660 N SER A 45 4.563 5.074 -5.221 1.00 0.00 N ATOM 661 CA SER A 45 5.229 3.931 -4.595 1.00 0.00 C ATOM 662 C SER A 45 4.714 2.582 -5.103 1.00 0.00 C ATOM 663 O SER A 45 3.522 2.431 -5.379 1.00 0.00 O ATOM 664 CB SER A 45 5.006 3.985 -3.079 1.00 0.00 C ATOM 665 OG SER A 45 5.390 5.237 -2.543 1.00 0.00 O ATOM 0 H SER A 45 4.003 5.626 -4.571 1.00 0.00 H new ATOM 0 HA SER A 45 6.285 4.004 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.955 3.800 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.577 3.191 -2.598 1.00 0.00 H new ATOM 0 HG SER A 45 4.675 5.890 -2.694 1.00 0.00 H new ATOM 671 N SER A 46 5.601 1.587 -5.195 1.00 0.00 N ATOM 672 CA SER A 46 5.213 0.219 -5.523 1.00 0.00 C ATOM 673 C SER A 46 4.415 -0.300 -4.325 1.00 0.00 C ATOM 674 O SER A 46 4.833 -0.087 -3.182 1.00 0.00 O ATOM 675 CB SER A 46 6.468 -0.618 -5.784 1.00 0.00 C ATOM 676 OG SER A 46 6.165 -1.983 -6.004 1.00 0.00 O ATOM 0 H SER A 46 6.602 1.710 -5.044 1.00 0.00 H new ATOM 0 HA SER A 46 4.605 0.163 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.994 -0.220 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.144 -0.530 -4.934 1.00 0.00 H new ATOM 0 HG SER A 46 6.994 -2.480 -6.168 1.00 0.00 H new ATOM 682 N ILE A 47 3.279 -0.965 -4.562 1.00 0.00 N ATOM 683 CA ILE A 47 2.429 -1.441 -3.466 1.00 0.00 C ATOM 684 C ILE A 47 3.183 -2.507 -2.664 1.00 0.00 C ATOM 685 O ILE A 47 3.157 -2.433 -1.437 1.00 0.00 O ATOM 686 CB ILE A 47 1.033 -1.907 -3.953 1.00 0.00 C ATOM 687 CG1 ILE A 47 0.238 -0.698 -4.500 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.214 -2.554 -2.816 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.113 -1.069 -5.125 1.00 0.00 C ATOM 0 H ILE A 47 2.929 -1.184 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 47 2.216 -0.607 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 47 1.194 -2.650 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.069 0.009 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.844 -0.186 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.757 -2.866 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.749 -3.422 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.071 -1.831 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.608 -0.167 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.953 -1.752 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.740 -1.553 -4.376 1.00 0.00 H new ATOM 701 N CYS A 48 3.897 -3.442 -3.310 1.00 0.00 N ATOM 702 CA CYS A 48 4.721 -4.411 -2.586 1.00 0.00 C ATOM 703 C CYS A 48 5.731 -3.690 -1.720 1.00 0.00 C ATOM 704 O CYS A 48 5.840 -4.000 -0.539 1.00 0.00 O ATOM 705 CB CYS A 48 5.537 -5.308 -3.508 1.00 0.00 C ATOM 706 SG CYS A 48 4.657 -6.613 -4.352 1.00 0.00 S ATOM 0 H CYS A 48 3.918 -3.544 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 48 4.020 -5.013 -2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.013 -4.678 -4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.335 -5.762 -2.921 1.00 0.00 H new ATOM 711 N GLY A 49 6.467 -2.751 -2.320 1.00 0.00 N ATOM 712 CA GLY A 49 7.482 -1.992 -1.625 1.00 0.00 C ATOM 713 C GLY A 49 6.881 -1.368 -0.373 1.00 0.00 C ATOM 714 O GLY A 49 7.375 -1.614 0.720 1.00 0.00 O ATOM 0 H GLY A 49 6.367 -2.503 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.316 -2.640 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.880 -1.214 -2.277 1.00 0.00 H new ATOM 718 N ALA A 50 5.802 -0.596 -0.525 1.00 0.00 N ATOM 719 CA ALA A 50 5.120 0.046 0.586 1.00 0.00 C ATOM 720 C ALA A 50 4.714 -0.984 1.643 1.00 0.00 C ATOM 721 O ALA A 50 5.011 -0.797 2.815 1.00 0.00 O ATOM 722 CB ALA A 50 3.907 0.828 0.066 1.00 0.00 C ATOM 0 H ALA A 50 5.379 -0.402 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 50 5.801 0.749 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.398 1.308 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.240 1.588 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.220 0.144 -0.433 1.00 0.00 H new ATOM 728 N ALA A 51 4.033 -2.061 1.248 1.00 0.00 N ATOM 729 CA ALA A 51 3.482 -3.058 2.156 1.00 0.00 C ATOM 730 C ALA A 51 4.571 -3.798 2.934 1.00 0.00 C ATOM 731 O ALA A 51 4.478 -3.931 4.154 1.00 0.00 O ATOM 732 CB ALA A 51 2.603 -4.023 1.357 1.00 0.00 C ATOM 0 H ALA A 51 3.847 -2.265 0.266 1.00 0.00 H new ATOM 0 HA ALA A 51 2.874 -2.552 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.185 -4.774 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.793 -3.469 0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.204 -4.514 0.592 1.00 0.00 H new ATOM 738 N VAL A 52 5.577 -4.326 2.246 1.00 0.00 N ATOM 739 CA VAL A 52 6.663 -5.066 2.867 1.00 0.00 C ATOM 740 C VAL A 52 7.494 -4.120 3.755 1.00 0.00 C ATOM 741 O VAL A 52 7.804 -4.474 4.893 1.00 0.00 O ATOM 742 CB VAL A 52 7.434 -5.845 1.778 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.617 -6.631 2.348 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.551 -6.860 1.029 1.00 0.00 C ATOM 0 H VAL A 52 5.660 -4.250 1.232 1.00 0.00 H new ATOM 0 HA VAL A 52 6.303 -5.831 3.554 1.00 0.00 H new ATOM 0 HB VAL A 52 7.781 -5.071 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.125 -7.160 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.314 -5.943 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.256 -7.350 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.148 -7.376 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.151 -7.587 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.728 -6.337 0.543 1.00 0.00 H new ATOM 754 N HIS A 53 7.781 -2.888 3.316 1.00 0.00 N ATOM 755 CA HIS A 53 8.461 -1.858 4.115 1.00 0.00 C ATOM 756 C HIS A 53 7.682 -1.559 5.401 1.00 0.00 C ATOM 757 O HIS A 53 8.239 -1.583 6.501 1.00 0.00 O ATOM 758 CB HIS A 53 8.609 -0.601 3.248 1.00 0.00 C ATOM 759 CG HIS A 53 9.271 0.578 3.902 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.624 1.537 4.686 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.557 0.964 3.673 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.555 2.476 4.927 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.713 2.169 4.314 1.00 0.00 N ATOM 0 H HIS A 53 7.542 -2.572 2.376 1.00 0.00 H new ATOM 0 HA HIS A 53 9.446 -2.212 4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.179 -0.864 2.357 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.617 -0.296 2.914 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.303 0.431 3.103 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.395 3.357 5.531 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.562 2.735 4.324 1.00 0.00 H new ATOM 771 N ARG A 54 6.371 -1.342 5.266 1.00 0.00 N ATOM 772 CA ARG A 54 5.392 -1.131 6.331 1.00 0.00 C ATOM 773 C ARG A 54 5.309 -2.299 7.318 1.00 0.00 C ATOM 774 O ARG A 54 4.779 -2.118 8.420 1.00 0.00 O ATOM 775 CB ARG A 54 4.037 -0.827 5.676 1.00 0.00 C ATOM 776 CG ARG A 54 2.886 -0.494 6.624 1.00 0.00 C ATOM 777 CD ARG A 54 3.118 0.799 7.402 1.00 0.00 C ATOM 778 NE ARG A 54 1.929 1.119 8.200 1.00 0.00 N ATOM 779 CZ ARG A 54 1.773 0.897 9.505 1.00 0.00 C ATOM 780 NH1 ARG A 54 2.717 0.263 10.198 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.664 1.322 10.090 1.00 0.00 N ATOM 0 H ARG A 54 5.937 -1.307 4.344 1.00 0.00 H new ATOM 0 HA ARG A 54 5.711 -0.285 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.169 0.010 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.747 -1.689 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.963 -0.408 6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.750 -1.316 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.986 0.692 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.335 1.615 6.713 1.00 0.00 H new ATOM 0 HE ARG A 54 1.147 1.553 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.566 -0.056 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.591 0.096 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.047 1.807 9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.521 1.164 11.088 1.00 0.00 H new ATOM 795 N GLY A 55 5.707 -3.505 6.912 1.00 0.00 N ATOM 796 CA GLY A 55 5.579 -4.704 7.721 1.00 0.00 C ATOM 797 C GLY A 55 4.143 -5.213 7.701 1.00 0.00 C ATOM 798 O GLY A 55 3.545 -5.462 8.750 1.00 0.00 O ATOM 0 H GLY A 55 6.132 -3.672 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.250 -5.476 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.881 -4.491 8.747 1.00 0.00 H new ATOM 802 N VAL A 56 3.544 -5.277 6.515 1.00 0.00 N ATOM 803 CA VAL A 56 2.225 -5.852 6.274 1.00 0.00 C ATOM 804 C VAL A 56 2.439 -7.312 5.871 1.00 0.00 C ATOM 805 O VAL A 56 1.880 -8.220 6.486 1.00 0.00 O ATOM 806 CB VAL A 56 1.516 -5.025 5.182 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.186 -5.602 4.710 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.249 -3.596 5.675 1.00 0.00 C ATOM 0 H VAL A 56 3.980 -4.917 5.666 1.00 0.00 H new ATOM 0 HA VAL A 56 1.586 -5.826 7.156 1.00 0.00 H new ATOM 0 HB VAL A 56 2.205 -5.044 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.240 -4.955 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.348 -6.597 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.502 -5.667 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.748 -3.028 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.614 -3.629 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.195 -3.114 5.924 1.00 0.00 H new ATOM 818 N ILE A 57 3.294 -7.548 4.879 1.00 0.00 N ATOM 819 CA ILE A 57 3.639 -8.856 4.340 1.00 0.00 C ATOM 820 C ILE A 57 5.162 -8.942 4.239 1.00 0.00 C ATOM 821 O ILE A 57 5.861 -7.939 4.386 1.00 0.00 O ATOM 822 CB ILE A 57 2.941 -9.085 2.973 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.024 -7.855 2.040 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.478 -9.500 3.195 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.810 -8.196 0.559 1.00 0.00 C ATOM 0 H ILE A 57 3.789 -6.791 4.407 1.00 0.00 H new ATOM 0 HA ILE A 57 3.285 -9.649 4.999 1.00 0.00 H new ATOM 0 HB ILE A 57 3.477 -9.889 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.277 -7.124 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.999 -7.383 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.995 -9.659 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.445 -10.423 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.955 -8.713 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.882 -7.287 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.573 -8.904 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.823 -8.640 0.427 1.00 0.00 H new ATOM 837 N SER A 58 5.660 -10.145 4.000 1.00 0.00 N ATOM 838 CA SER A 58 7.049 -10.476 3.739 1.00 0.00 C ATOM 839 C SER A 58 7.205 -10.796 2.245 1.00 0.00 C ATOM 840 O SER A 58 6.217 -10.755 1.498 1.00 0.00 O ATOM 841 CB SER A 58 7.425 -11.656 4.640 1.00 0.00 C ATOM 842 OG SER A 58 7.304 -11.299 6.010 1.00 0.00 O ATOM 0 H SER A 58 5.062 -10.971 3.982 1.00 0.00 H new ATOM 0 HA SER A 58 7.721 -9.648 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.779 -12.507 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.447 -11.970 4.429 1.00 0.00 H new ATOM 0 HG SER A 58 7.547 -12.065 6.570 1.00 0.00 H new ATOM 848 N ASN A 59 8.431 -11.063 1.771 1.00 0.00 N ATOM 849 CA ASN A 59 8.674 -11.519 0.397 1.00 0.00 C ATOM 850 C ASN A 59 8.148 -12.958 0.280 1.00 0.00 C ATOM 851 O ASN A 59 8.889 -13.937 0.280 1.00 0.00 O ATOM 852 CB ASN A 59 10.193 -11.451 0.131 1.00 0.00 C ATOM 853 CG ASN A 59 10.638 -12.149 -1.152 1.00 0.00 C ATOM 854 OD1 ASN A 59 9.947 -11.997 -2.262 1.00 0.00 O flip ATOM 855 ND2 ASN A 59 11.636 -12.867 -1.169 1.00 0.00 N flip ATOM 0 H ASN A 59 9.279 -10.969 2.329 1.00 0.00 H new ATOM 0 HA ASN A 59 8.165 -10.897 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.496 -10.405 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.718 -11.898 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.185 -12.998 -0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.915 -13.332 -2.033 1.00 0.00 H new ATOM 862 N SER A 60 6.828 -13.080 0.262 1.00 0.00 N ATOM 863 CA SER A 60 6.045 -14.278 0.043 1.00 0.00 C ATOM 864 C SER A 60 4.730 -13.963 -0.680 1.00 0.00 C ATOM 865 O SER A 60 4.043 -14.899 -1.096 1.00 0.00 O ATOM 866 CB SER A 60 5.806 -14.938 1.402 1.00 0.00 C ATOM 867 OG SER A 60 5.474 -16.311 1.282 1.00 0.00 O ATOM 0 H SER A 60 6.229 -12.268 0.414 1.00 0.00 H new ATOM 0 HA SER A 60 6.586 -14.966 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.701 -14.835 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.002 -14.416 1.921 1.00 0.00 H new ATOM 0 HG SER A 60 4.909 -16.443 0.492 1.00 0.00 H new ATOM 873 N GLY A 61 4.331 -12.687 -0.766 1.00 0.00 N ATOM 874 CA GLY A 61 3.040 -12.255 -1.293 1.00 0.00 C ATOM 875 C GLY A 61 2.060 -12.185 -0.111 1.00 0.00 C ATOM 876 O GLY A 61 2.463 -12.429 1.033 1.00 0.00 O ATOM 0 H GLY A 61 4.917 -11.910 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.129 -11.282 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.681 -12.954 -2.048 1.00 0.00 H new ATOM 880 N GLY A 62 0.788 -11.859 -0.353 1.00 0.00 N ATOM 881 CA GLY A 62 -0.244 -11.879 0.685 1.00 0.00 C ATOM 882 C GLY A 62 -1.205 -10.689 0.640 1.00 0.00 C ATOM 883 O GLY A 62 -1.140 -9.881 -0.295 1.00 0.00 O ATOM 0 H GLY A 62 0.446 -11.575 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.820 -12.800 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.240 -11.904 1.661 1.00 0.00 H new ATOM 887 N PRO A 63 -2.129 -10.601 1.615 1.00 0.00 N ATOM 888 CA PRO A 63 -3.115 -9.531 1.709 1.00 0.00 C ATOM 889 C PRO A 63 -2.507 -8.242 2.262 1.00 0.00 C ATOM 890 O PRO A 63 -1.554 -8.264 3.039 1.00 0.00 O ATOM 891 CB PRO A 63 -4.190 -10.066 2.658 1.00 0.00 C ATOM 892 CG PRO A 63 -3.394 -10.955 3.612 1.00 0.00 C ATOM 893 CD PRO A 63 -2.318 -11.554 2.704 1.00 0.00 C ATOM 0 HA PRO A 63 -3.513 -9.274 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.699 -9.260 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.955 -10.630 2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.959 -10.381 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.019 -11.727 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.388 -11.709 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.628 -12.526 2.321 1.00 0.00 H new ATOM 901 N VAL A 64 -3.088 -7.110 1.878 1.00 0.00 N ATOM 902 CA VAL A 64 -2.670 -5.759 2.217 1.00 0.00 C ATOM 903 C VAL A 64 -3.948 -4.899 2.228 1.00 0.00 C ATOM 904 O VAL A 64 -4.959 -5.256 1.622 1.00 0.00 O ATOM 905 CB VAL A 64 -1.649 -5.296 1.144 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.132 -3.870 1.285 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.421 -6.218 0.993 1.00 0.00 C ATOM 0 H VAL A 64 -3.917 -7.115 1.283 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.183 -5.682 3.189 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.271 -5.348 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.426 -3.658 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.968 -3.173 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.631 -3.758 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.240 -5.820 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.115 -6.268 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.749 -7.218 0.709 1.00 0.00 H new ATOM 917 N ARG A 65 -3.912 -3.735 2.873 1.00 0.00 N ATOM 918 CA ARG A 65 -4.985 -2.745 2.882 1.00 0.00 C ATOM 919 C ARG A 65 -4.410 -1.342 2.765 1.00 0.00 C ATOM 920 O ARG A 65 -3.703 -0.885 3.661 1.00 0.00 O ATOM 921 CB ARG A 65 -5.876 -2.888 4.126 1.00 0.00 C ATOM 922 CG ARG A 65 -6.978 -1.810 4.119 1.00 0.00 C ATOM 923 CD ARG A 65 -7.928 -1.938 5.305 1.00 0.00 C ATOM 924 NE ARG A 65 -8.909 -3.003 5.093 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.515 -3.754 6.008 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.217 -3.631 7.301 1.00 0.00 N ATOM 927 NH2 ARG A 65 -10.433 -4.621 5.602 1.00 0.00 N ATOM 0 H ARG A 65 -3.104 -3.445 3.424 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.621 -2.926 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.328 -3.880 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.271 -2.794 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.516 -0.823 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.547 -1.883 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.356 -2.143 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.445 -0.991 5.462 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.159 -3.193 4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.516 -2.954 7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.690 -4.214 7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.658 -4.699 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.914 -5.210 6.282 1.00 0.00 H new ATOM 941 N VAL A 66 -4.686 -0.671 1.658 1.00 0.00 N ATOM 942 CA VAL A 66 -4.338 0.722 1.419 1.00 0.00 C ATOM 943 C VAL A 66 -5.437 1.618 2.015 1.00 0.00 C ATOM 944 O VAL A 66 -6.615 1.257 2.001 1.00 0.00 O ATOM 945 CB VAL A 66 -4.206 0.924 -0.110 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.952 2.388 -0.493 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.067 0.069 -0.698 1.00 0.00 C ATOM 0 H VAL A 66 -5.177 -1.097 0.872 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.393 0.987 1.893 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.163 0.610 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.868 2.471 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.781 3.004 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.026 2.730 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.004 0.237 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.123 0.350 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.267 -0.985 -0.506 1.00 0.00 H new ATOM 957 N TYR A 67 -5.050 2.807 2.480 1.00 0.00 N ATOM 958 CA TYR A 67 -5.891 3.893 2.969 1.00 0.00 C ATOM 959 C TYR A 67 -5.418 5.179 2.306 1.00 0.00 C ATOM 960 O TYR A 67 -4.229 5.497 2.371 1.00 0.00 O ATOM 961 CB TYR A 67 -5.819 4.014 4.494 1.00 0.00 C ATOM 962 CG TYR A 67 -6.712 3.040 5.225 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.097 3.285 5.249 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.181 1.929 5.902 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.958 2.428 5.950 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.036 1.068 6.611 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.428 1.319 6.642 1.00 0.00 C ATOM 968 OH TYR A 67 -9.271 0.491 7.320 1.00 0.00 O ATOM 0 H TYR A 67 -4.061 3.052 2.527 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.933 3.693 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.789 3.858 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.092 5.029 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.500 4.139 4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.118 1.737 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.021 2.616 5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.630 0.214 7.133 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.755 -0.226 7.743 1.00 0.00 H new ATOM 978 N SER A 68 -6.325 5.898 1.640 1.00 0.00 N ATOM 979 CA SER A 68 -6.036 7.191 1.029 1.00 0.00 C ATOM 980 C SER A 68 -5.527 8.156 2.096 1.00 0.00 C ATOM 981 O SER A 68 -5.977 8.105 3.246 1.00 0.00 O ATOM 982 CB SER A 68 -7.287 7.754 0.342 1.00 0.00 C ATOM 983 OG SER A 68 -8.368 7.914 1.247 1.00 0.00 O ATOM 0 H SER A 68 -7.290 5.593 1.510 1.00 0.00 H new ATOM 0 HA SER A 68 -5.265 7.063 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.049 8.716 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.587 7.087 -0.466 1.00 0.00 H new ATOM 0 HG SER A 68 -8.742 7.036 1.468 1.00 0.00 H new ATOM 989 N LEU A 69 -4.595 9.033 1.727 1.00 0.00 N ATOM 990 CA LEU A 69 -4.049 10.050 2.607 1.00 0.00 C ATOM 991 C LEU A 69 -3.971 11.358 1.807 1.00 0.00 C ATOM 992 O LEU A 69 -3.595 11.305 0.631 1.00 0.00 O ATOM 993 CB LEU A 69 -2.700 9.538 3.135 1.00 0.00 C ATOM 994 CG LEU A 69 -2.185 10.240 4.403 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.298 9.264 5.178 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.389 11.508 4.071 1.00 0.00 C ATOM 0 H LEU A 69 -4.194 9.052 0.789 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.666 10.253 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.789 8.471 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.954 9.650 2.348 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.044 10.541 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.925 9.749 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.879 8.384 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.456 8.963 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.044 11.973 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.530 11.247 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.027 12.207 3.529 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.337 12.511 2.398 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.342 13.800 1.710 1.00 0.00 C ATOM 1010 C PRO A 70 -2.952 14.234 1.217 1.00 0.00 C ATOM 1011 O PRO A 70 -1.937 13.574 1.459 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.955 14.797 2.704 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.754 14.138 4.063 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.886 12.660 3.738 1.00 0.00 C ATOM 0 HA PRO A 70 -4.927 13.743 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.459 15.766 2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.011 14.968 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.778 14.374 4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.503 14.463 4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.340 12.049 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.928 12.341 3.774 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.919 15.363 0.505 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.706 15.922 -0.069 1.00 0.00 C ATOM 1024 C GLY A 71 -0.643 16.137 1.001 1.00 0.00 C ATOM 1025 O GLY A 71 -0.925 16.714 2.053 1.00 0.00 O ATOM 0 H GLY A 71 -3.752 15.919 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.322 15.253 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.934 16.870 -0.556 1.00 0.00 H new ATOM 1029 N ARG A 72 0.574 15.653 0.748 1.00 0.00 N ATOM 1030 CA ARG A 72 1.688 15.657 1.689 1.00 0.00 C ATOM 1031 C ARG A 72 2.949 16.212 1.061 1.00 0.00 C ATOM 1032 O ARG A 72 3.049 16.425 -0.145 1.00 0.00 O ATOM 1033 CB ARG A 72 1.872 14.260 2.309 1.00 0.00 C ATOM 1034 CG ARG A 72 0.923 13.977 3.477 1.00 0.00 C ATOM 1035 CD ARG A 72 1.628 14.344 4.790 1.00 0.00 C ATOM 1036 NE ARG A 72 0.837 13.991 5.975 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.277 13.375 7.077 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.575 13.156 7.276 1.00 0.00 N ATOM 1039 NH2 ARG A 72 0.386 12.962 7.965 1.00 0.00 N ATOM 0 H ARG A 72 0.816 15.234 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 72 1.453 16.335 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.719 13.506 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.901 14.158 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.006 14.556 3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.637 12.925 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.591 13.835 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.833 15.414 4.801 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.151 14.242 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.256 13.460 6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.888 12.684 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.609 13.117 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.694 12.489 8.815 1.00 0.00 H new ATOM 1053 N GLU A 73 3.897 16.519 1.926 1.00 0.00 N ATOM 1054 CA GLU A 73 5.169 17.176 1.705 1.00 0.00 C ATOM 1055 C GLU A 73 6.053 16.787 2.889 1.00 0.00 C ATOM 1056 O GLU A 73 5.557 16.148 3.824 1.00 0.00 O ATOM 1057 CB GLU A 73 4.939 18.694 1.632 1.00 0.00 C ATOM 1058 CG GLU A 73 4.132 19.271 2.813 1.00 0.00 C ATOM 1059 CD GLU A 73 3.656 20.687 2.506 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.751 20.825 1.646 1.00 0.00 O ATOM 1061 OE2 GLU A 73 4.203 21.644 3.104 1.00 0.00 O ATOM 0 H GLU A 73 3.779 16.287 2.912 1.00 0.00 H new ATOM 0 HA GLU A 73 5.646 16.879 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.906 19.195 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.418 18.927 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.274 18.631 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.749 19.277 3.712 1.00 0.00 H new ATOM 1068 N ASN A 74 7.334 17.167 2.853 1.00 0.00 N ATOM 1069 CA ASN A 74 8.302 16.984 3.940 1.00 0.00 C ATOM 1070 C ASN A 74 8.204 15.590 4.560 1.00 0.00 C ATOM 1071 O ASN A 74 7.943 15.412 5.749 1.00 0.00 O ATOM 1072 CB ASN A 74 8.255 18.154 4.938 1.00 0.00 C ATOM 1073 CG ASN A 74 9.052 19.328 4.393 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.852 19.752 3.256 1.00 0.00 O ATOM 1075 ND2 ASN A 74 10.030 19.817 5.136 1.00 0.00 N ATOM 0 H ASN A 74 7.740 17.627 2.038 1.00 0.00 H new ATOM 0 HA ASN A 74 9.308 17.019 3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.222 18.454 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.663 17.841 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.630 20.555 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.185 19.456 6.077 1.00 0.00 H new ATOM 1082 N TYR A 75 8.343 14.599 3.683 1.00 0.00 N ATOM 1083 CA TYR A 75 8.417 13.186 4.006 1.00 0.00 C ATOM 1084 C TYR A 75 9.827 12.886 4.542 1.00 0.00 C ATOM 1085 O TYR A 75 10.666 13.786 4.626 1.00 0.00 O ATOM 1086 CB TYR A 75 8.126 12.373 2.732 1.00 0.00 C ATOM 1087 CG TYR A 75 6.826 12.644 1.986 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.686 13.804 1.195 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.817 11.662 1.947 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.546 13.994 0.397 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.691 11.837 1.125 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.537 13.012 0.363 1.00 0.00 C ATOM 1093 OH TYR A 75 3.465 13.183 -0.455 1.00 0.00 O ATOM 0 H TYR A 75 8.410 14.773 2.680 1.00 0.00 H new ATOM 0 HA TYR A 75 7.684 12.915 4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.949 12.538 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.142 11.317 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.464 14.554 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.909 10.771 2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.443 14.894 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.938 11.065 1.077 1.00 0.00 H new ATOM 0 HH TYR A 75 2.767 12.537 -0.219 1.00 0.00 H new ATOM 1103 N SER A 76 10.128 11.619 4.814 1.00 0.00 N ATOM 1104 CA SER A 76 11.440 11.142 5.215 1.00 0.00 C ATOM 1105 C SER A 76 11.797 9.964 4.310 1.00 0.00 C ATOM 1106 O SER A 76 10.954 9.487 3.539 1.00 0.00 O ATOM 1107 CB SER A 76 11.437 10.705 6.686 1.00 0.00 C ATOM 1108 OG SER A 76 10.871 11.653 7.570 1.00 0.00 O ATOM 0 H SER A 76 9.436 10.872 4.758 1.00 0.00 H new ATOM 0 HA SER A 76 12.176 11.940 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.887 9.768 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.462 10.503 6.996 1.00 0.00 H new ATOM 0 HG SER A 76 10.902 11.306 8.486 1.00 0.00 H new ATOM 1114 N SER A 77 13.029 9.485 4.435 1.00 0.00 N ATOM 1115 CA SER A 77 13.563 8.354 3.699 1.00 0.00 C ATOM 1116 C SER A 77 13.933 7.287 4.731 1.00 0.00 C ATOM 1117 O SER A 77 14.633 7.592 5.704 1.00 0.00 O ATOM 1118 CB SER A 77 14.745 8.835 2.850 1.00 0.00 C ATOM 1119 OG SER A 77 14.392 10.017 2.134 1.00 0.00 O ATOM 0 H SER A 77 13.707 9.893 5.078 1.00 0.00 H new ATOM 0 HA SER A 77 12.848 7.915 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.605 9.033 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.041 8.053 2.151 1.00 0.00 H new ATOM 0 HG SER A 77 15.156 10.315 1.597 1.00 0.00 H new ATOM 1125 N VAL A 78 13.406 6.069 4.596 1.00 0.00 N ATOM 1126 CA VAL A 78 13.567 5.002 5.582 1.00 0.00 C ATOM 1127 C VAL A 78 13.797 3.683 4.851 1.00 0.00 C ATOM 1128 O VAL A 78 13.209 3.446 3.798 1.00 0.00 O ATOM 1129 CB VAL A 78 12.308 4.964 6.479 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.306 3.804 7.483 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.144 6.266 7.284 1.00 0.00 C ATOM 0 H VAL A 78 12.848 5.793 3.788 1.00 0.00 H new ATOM 0 HA VAL A 78 14.431 5.180 6.223 1.00 0.00 H new ATOM 0 HB VAL A 78 11.482 4.830 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.394 3.840 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.351 2.857 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.172 3.890 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.249 6.201 7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.016 6.411 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.052 7.108 6.599 1.00 0.00 H new ATOM 1141 N ASP A 79 14.578 2.786 5.448 1.00 0.00 N ATOM 1142 CA ASP A 79 14.880 1.467 4.903 1.00 0.00 C ATOM 1143 C ASP A 79 14.294 0.386 5.807 1.00 0.00 C ATOM 1144 O ASP A 79 14.414 0.483 7.036 1.00 0.00 O ATOM 1145 CB ASP A 79 16.396 1.315 4.803 1.00 0.00 C ATOM 1146 CG ASP A 79 16.811 -0.012 4.175 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.827 -1.040 4.895 1.00 0.00 O ATOM 1148 OD2 ASP A 79 17.240 -0.001 3.001 1.00 0.00 O ATOM 0 H ASP A 79 15.029 2.962 6.346 1.00 0.00 H new ATOM 0 HA ASP A 79 14.438 1.361 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.802 2.136 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.832 1.394 5.799 1.00 0.00 H new ATOM 1153 N ALA A 80 13.664 -0.632 5.221 1.00 0.00 N ATOM 1154 CA ALA A 80 13.158 -1.813 5.907 1.00 0.00 C ATOM 1155 C ALA A 80 12.913 -2.925 4.889 1.00 0.00 C ATOM 1156 O ALA A 80 12.513 -2.648 3.763 1.00 0.00 O ATOM 1157 CB ALA A 80 11.828 -1.492 6.596 1.00 0.00 C ATOM 0 H ALA A 80 13.487 -0.654 4.217 1.00 0.00 H new ATOM 0 HA ALA A 80 13.892 -2.128 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.458 -2.382 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.978 -0.693 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.100 -1.172 5.851 1.00 0.00 H new ATOM 1163 N ASN A 81 13.046 -4.179 5.320 1.00 0.00 N ATOM 1164 CA ASN A 81 12.750 -5.411 4.584 1.00 0.00 C ATOM 1165 C ASN A 81 13.249 -5.413 3.134 1.00 0.00 C ATOM 1166 O ASN A 81 12.531 -5.833 2.227 1.00 0.00 O ATOM 1167 CB ASN A 81 11.255 -5.749 4.704 1.00 0.00 C ATOM 1168 CG ASN A 81 10.856 -6.087 6.127 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.544 -6.833 6.814 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.725 -5.606 6.608 1.00 0.00 N ATOM 0 H ASN A 81 13.388 -4.376 6.260 1.00 0.00 H new ATOM 0 HA ASN A 81 13.323 -6.210 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.664 -4.903 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.022 -6.592 4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.425 -5.855 7.550 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.151 -4.985 6.037 1.00 0.00 H new ATOM 1177 N GLY A 82 14.484 -4.961 2.906 1.00 0.00 N ATOM 1178 CA GLY A 82 15.095 -4.975 1.580 1.00 0.00 C ATOM 1179 C GLY A 82 14.577 -3.856 0.678 1.00 0.00 C ATOM 1180 O GLY A 82 14.763 -3.920 -0.540 1.00 0.00 O ATOM 0 H GLY A 82 15.085 -4.576 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.176 -4.882 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.901 -5.937 1.106 1.00 0.00 H new ATOM 1184 N ILE A 83 13.901 -2.852 1.238 1.00 0.00 N ATOM 1185 CA ILE A 83 13.252 -1.778 0.510 1.00 0.00 C ATOM 1186 C ILE A 83 13.710 -0.462 1.124 1.00 0.00 C ATOM 1187 O ILE A 83 13.828 -0.340 2.344 1.00 0.00 O ATOM 1188 CB ILE A 83 11.721 -1.950 0.595 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.250 -3.276 -0.039 1.00 0.00 C ATOM 1190 CG2 ILE A 83 10.964 -0.796 -0.077 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.157 -3.939 0.784 1.00 0.00 C ATOM 0 H ILE A 83 13.791 -2.768 2.248 1.00 0.00 H new ATOM 0 HA ILE A 83 13.521 -1.792 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 83 11.492 -1.955 1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.881 -3.086 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.097 -3.955 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.891 -0.965 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.224 0.143 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.239 -0.745 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.853 -4.869 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.534 -4.153 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.299 -3.271 0.855 1.00 0.00 H new ATOM 1203 N GLN A 84 13.906 0.540 0.274 1.00 0.00 N ATOM 1204 CA GLN A 84 14.221 1.900 0.660 1.00 0.00 C ATOM 1205 C GLN A 84 13.057 2.775 0.206 1.00 0.00 C ATOM 1206 O GLN A 84 12.502 2.555 -0.877 1.00 0.00 O ATOM 1207 CB GLN A 84 15.535 2.295 -0.034 1.00 0.00 C ATOM 1208 CG GLN A 84 15.993 3.738 0.220 1.00 0.00 C ATOM 1209 CD GLN A 84 16.396 3.997 1.666 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.533 3.482 2.099 1.00 0.00 O flip ATOM 1211 NE2 GLN A 84 15.724 4.697 2.411 1.00 0.00 N flip ATOM 0 H GLN A 84 13.847 0.418 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 84 14.354 2.015 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.321 1.616 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.419 2.150 -1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.838 3.964 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.188 4.421 -0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.846 5.097 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.042 4.881 3.362 1.00 0.00 H new ATOM 1220 N SER A 85 12.686 3.754 1.025 1.00 0.00 N ATOM 1221 CA SER A 85 11.698 4.752 0.678 1.00 0.00 C ATOM 1222 C SER A 85 12.420 6.092 0.658 1.00 0.00 C ATOM 1223 O SER A 85 13.335 6.304 1.452 1.00 0.00 O ATOM 1224 CB SER A 85 10.477 4.711 1.605 1.00 0.00 C ATOM 1225 OG SER A 85 10.725 5.128 2.935 1.00 0.00 O ATOM 0 H SER A 85 13.073 3.872 1.961 1.00 0.00 H new ATOM 0 HA SER A 85 11.271 4.558 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.696 5.342 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.088 3.693 1.625 1.00 0.00 H new ATOM 0 HG SER A 85 10.836 4.342 3.509 1.00 0.00 H new ATOM 1231 N GLN A 86 12.027 6.996 -0.236 1.00 0.00 N ATOM 1232 CA GLN A 86 12.683 8.287 -0.406 1.00 0.00 C ATOM 1233 C GLN A 86 11.657 9.411 -0.268 1.00 0.00 C ATOM 1234 O GLN A 86 10.540 9.282 -0.767 1.00 0.00 O ATOM 1235 CB GLN A 86 13.415 8.321 -1.759 1.00 0.00 C ATOM 1236 CG GLN A 86 12.560 7.910 -2.971 1.00 0.00 C ATOM 1237 CD GLN A 86 13.062 8.543 -4.265 1.00 0.00 C ATOM 1238 OE1 GLN A 86 12.914 9.747 -4.471 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.634 7.767 -5.167 1.00 0.00 N ATOM 0 H GLN A 86 11.239 6.851 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 86 13.431 8.435 0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.793 9.330 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.281 7.661 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.570 6.825 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 86 11.524 8.205 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 86 13.750 6.771 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.960 8.164 -6.048 1.00 0.00 H new ATOM 1248 N MET A 87 11.997 10.511 0.402 1.00 0.00 N ATOM 1249 CA MET A 87 11.133 11.684 0.493 1.00 0.00 C ATOM 1250 C MET A 87 10.711 12.235 -0.887 1.00 0.00 C ATOM 1251 O MET A 87 11.261 11.860 -1.930 1.00 0.00 O ATOM 1252 CB MET A 87 11.796 12.744 1.396 1.00 0.00 C ATOM 1253 CG MET A 87 13.133 13.296 0.878 1.00 0.00 C ATOM 1254 SD MET A 87 13.070 14.345 -0.603 1.00 0.00 S ATOM 1255 CE MET A 87 12.224 15.812 0.040 1.00 0.00 C ATOM 0 H MET A 87 12.882 10.613 0.898 1.00 0.00 H new ATOM 0 HA MET A 87 10.194 11.382 0.957 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.102 13.575 1.524 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.958 12.309 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.597 13.869 1.680 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.790 12.452 0.668 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.223 16.594 -0.720 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.197 15.556 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.743 16.171 0.929 1.00 0.00 H new ATOM 1265 N LEU A 88 9.730 13.145 -0.910 1.00 0.00 N ATOM 1266 CA LEU A 88 9.235 13.782 -2.129 1.00 0.00 C ATOM 1267 C LEU A 88 8.950 15.247 -1.873 1.00 0.00 C ATOM 1268 O LEU A 88 8.647 15.643 -0.742 1.00 0.00 O ATOM 1269 CB LEU A 88 7.903 13.215 -2.629 1.00 0.00 C ATOM 1270 CG LEU A 88 7.778 11.686 -2.624 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.128 11.216 -1.325 1.00 0.00 C ATOM 1272 CD2 LEU A 88 6.897 11.299 -3.802 1.00 0.00 C ATOM 0 H LEU A 88 9.252 13.462 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 88 10.019 13.606 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.102 13.627 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.739 13.570 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 88 8.762 11.223 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.044 10.129 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.740 11.527 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.135 11.656 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.785 10.215 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.917 11.763 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.358 11.641 -4.729 1.00 0.00 H new ATOM 1284 N SER A 89 8.883 16.007 -2.957 1.00 0.00 N ATOM 1285 CA SER A 89 8.493 17.393 -2.950 1.00 0.00 C ATOM 1286 C SER A 89 7.017 17.515 -3.340 1.00 0.00 C ATOM 1287 O SER A 89 6.674 17.484 -4.523 1.00 0.00 O ATOM 1288 CB SER A 89 9.420 18.211 -3.863 1.00 0.00 C ATOM 1289 OG SER A 89 9.751 17.530 -5.063 1.00 0.00 O ATOM 0 H SER A 89 9.107 15.657 -3.889 1.00 0.00 H new ATOM 0 HA SER A 89 8.598 17.805 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.938 19.157 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.336 18.451 -3.322 1.00 0.00 H new ATOM 0 HG SER A 89 10.340 18.094 -5.607 1.00 0.00 H new ATOM 1295 N ARG A 90 6.117 17.542 -2.349 1.00 0.00 N ATOM 1296 CA ARG A 90 4.685 17.810 -2.561 1.00 0.00 C ATOM 1297 C ARG A 90 3.874 16.771 -3.354 1.00 0.00 C ATOM 1298 O ARG A 90 3.415 17.096 -4.450 1.00 0.00 O ATOM 1299 CB ARG A 90 4.558 19.234 -3.157 1.00 0.00 C ATOM 1300 CG ARG A 90 3.147 19.851 -3.164 1.00 0.00 C ATOM 1301 CD ARG A 90 2.846 20.496 -4.523 1.00 0.00 C ATOM 1302 NE ARG A 90 2.621 19.472 -5.552 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.483 19.633 -6.867 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.499 20.844 -7.412 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.337 18.562 -7.638 1.00 0.00 N ATOM 0 H ARG A 90 6.361 17.378 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 90 4.214 17.730 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.218 19.898 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.925 19.209 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.406 19.081 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.067 20.599 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.966 21.133 -4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.677 21.137 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 90 2.563 18.511 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.618 21.667 -6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.392 20.951 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.332 17.631 -7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.230 18.670 -8.647 1.00 0.00 H new ATOM 1319 N TRP A 91 3.727 15.514 -2.923 1.00 0.00 N ATOM 1320 CA TRP A 91 2.818 14.629 -3.663 1.00 0.00 C ATOM 1321 C TRP A 91 1.403 14.882 -3.151 1.00 0.00 C ATOM 1322 O TRP A 91 1.018 14.439 -2.063 1.00 0.00 O ATOM 1323 CB TRP A 91 3.195 13.146 -3.642 1.00 0.00 C ATOM 1324 CG TRP A 91 3.217 12.541 -5.020 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.209 11.895 -5.652 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.307 12.583 -5.982 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.626 11.475 -6.902 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.940 11.825 -7.131 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.580 13.179 -5.978 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.836 11.595 -8.186 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.494 12.935 -7.013 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.127 12.144 -8.115 1.00 0.00 C ATOM 0 H TRP A 91 4.194 15.103 -2.115 1.00 0.00 H new ATOM 0 HA TRP A 91 2.895 14.878 -4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.176 13.030 -3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.484 12.602 -3.020 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.224 11.732 -5.241 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.039 10.972 -7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.858 13.834 -5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.538 11.005 -9.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.487 13.358 -6.963 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.837 11.958 -8.907 1.00 0.00 H new ATOM 1343 N SER A 92 0.598 15.570 -3.960 1.00 0.00 N ATOM 1344 CA SER A 92 -0.782 15.917 -3.638 1.00 0.00 C ATOM 1345 C SER A 92 -1.729 14.719 -3.851 1.00 0.00 C ATOM 1346 O SER A 92 -2.891 14.888 -4.218 1.00 0.00 O ATOM 1347 CB SER A 92 -1.174 17.139 -4.479 1.00 0.00 C ATOM 1348 OG SER A 92 -0.240 18.184 -4.254 1.00 0.00 O ATOM 0 H SER A 92 0.895 15.908 -4.876 1.00 0.00 H new ATOM 0 HA SER A 92 -0.871 16.171 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.194 16.875 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.178 17.470 -4.214 1.00 0.00 H new ATOM 0 HG SER A 92 -0.487 18.965 -4.792 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.236 13.504 -3.599 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.904 12.221 -3.690 1.00 0.00 C ATOM 1356 C ALA A 93 -1.014 11.246 -2.921 1.00 0.00 C ATOM 1357 O ALA A 93 0.080 10.915 -3.385 1.00 0.00 O ATOM 1358 CB ALA A 93 -2.031 11.804 -5.160 1.00 0.00 C ATOM 0 H ALA A 93 -0.268 13.393 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.913 12.247 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.534 10.839 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.611 12.551 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.038 11.725 -5.603 1.00 0.00 H new ATOM 1364 N SER A 94 -1.418 10.829 -1.726 1.00 0.00 N ATOM 1365 CA SER A 94 -0.639 9.901 -0.918 1.00 0.00 C ATOM 1366 C SER A 94 -1.539 8.801 -0.351 1.00 0.00 C ATOM 1367 O SER A 94 -2.751 8.780 -0.593 1.00 0.00 O ATOM 1368 CB SER A 94 0.105 10.684 0.169 1.00 0.00 C ATOM 1369 OG SER A 94 1.029 11.615 -0.383 1.00 0.00 O ATOM 0 H SER A 94 -2.293 11.124 -1.292 1.00 0.00 H new ATOM 0 HA SER A 94 0.108 9.398 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.616 11.214 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.636 9.988 0.818 1.00 0.00 H new ATOM 0 HG SER A 94 0.703 12.527 -0.233 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.946 7.842 0.354 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.646 6.792 1.063 1.00 0.00 C ATOM 1377 C PHE A 95 -0.793 6.287 2.218 1.00 0.00 C ATOM 1378 O PHE A 95 0.338 6.722 2.410 1.00 0.00 O ATOM 1379 CB PHE A 95 -2.011 5.652 0.082 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.866 4.830 -0.499 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.225 5.237 -1.686 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.489 3.609 0.101 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.779 4.437 -2.263 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.498 2.799 -0.490 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.132 3.211 -1.675 1.00 0.00 C ATOM 0 H PHE A 95 0.068 7.778 0.446 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.573 7.185 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.688 4.970 0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.567 6.088 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.506 6.168 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.961 3.295 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.280 4.767 -3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.769 1.859 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.887 2.588 -2.131 1.00 0.00 H new ATOM 1395 N THR A 96 -1.351 5.392 3.017 1.00 0.00 N ATOM 1396 CA THR A 96 -0.671 4.686 4.084 1.00 0.00 C ATOM 1397 C THR A 96 -1.227 3.264 3.982 1.00 0.00 C ATOM 1398 O THR A 96 -2.393 3.080 3.617 1.00 0.00 O ATOM 1399 CB THR A 96 -0.858 5.409 5.433 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.045 4.910 6.401 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.293 5.355 5.969 1.00 0.00 C ATOM 0 H THR A 96 -2.333 5.128 2.934 1.00 0.00 H new ATOM 0 HA THR A 96 0.415 4.655 4.002 1.00 0.00 H new ATOM 0 HB THR A 96 -0.641 6.459 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.964 5.095 6.117 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.346 5.885 6.920 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.967 5.826 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.588 4.316 6.115 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.372 2.254 4.136 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.783 0.865 3.989 1.00 0.00 C ATOM 1411 C VAL A 97 -0.849 0.184 5.362 1.00 0.00 C ATOM 1412 O VAL A 97 -0.210 0.640 6.311 1.00 0.00 O ATOM 1413 CB VAL A 97 0.039 0.220 2.857 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.438 -0.241 3.239 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.709 -0.940 2.225 1.00 0.00 C ATOM 0 H VAL A 97 0.615 2.377 4.364 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.809 0.744 3.642 1.00 0.00 H new ATOM 0 HB VAL A 97 0.173 1.033 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.927 -0.679 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.019 0.612 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.372 -0.986 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.103 -1.374 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.911 -1.698 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.651 -0.582 1.809 1.00 0.00 H new ATOM 1425 N THR A 98 -1.631 -0.888 5.462 1.00 0.00 N ATOM 1426 CA THR A 98 -1.988 -1.656 6.649 1.00 0.00 C ATOM 1427 C THR A 98 -2.378 -3.084 6.205 1.00 0.00 C ATOM 1428 O THR A 98 -2.198 -3.427 5.033 1.00 0.00 O ATOM 1429 CB THR A 98 -3.188 -0.959 7.334 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.259 -0.759 6.430 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.866 0.399 7.960 1.00 0.00 C ATOM 0 H THR A 98 -2.074 -1.278 4.630 1.00 0.00 H new ATOM 0 HA THR A 98 -1.155 -1.712 7.350 1.00 0.00 H new ATOM 0 HB THR A 98 -3.461 -1.648 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.934 -0.859 5.511 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.766 0.812 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.097 0.275 8.722 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.506 1.079 7.188 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.857 -3.925 7.130 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.409 -5.261 6.879 1.00 0.00 C ATOM 1441 C LEU A 99 -4.934 -5.186 6.909 1.00 0.00 C ATOM 1442 O LEU A 99 -5.491 -4.298 7.563 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.965 -6.286 7.939 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.572 -6.870 7.694 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.095 -7.607 8.937 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.618 -7.863 6.522 1.00 0.00 C ATOM 0 H LEU A 99 -2.871 -3.680 8.120 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.039 -5.586 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.981 -5.810 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.689 -7.100 7.968 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.889 -6.054 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.103 -8.021 8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.052 -6.914 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.788 -8.415 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.623 -8.274 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.310 -8.672 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.954 -7.348 5.622 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.593 -6.134 6.239 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.040 -6.290 6.275 1.00 0.00 C ATOM 1460 C GLU A 100 -7.466 -6.704 7.672 1.00 0.00 C ATOM 1461 O GLU A 100 -6.941 -7.724 8.169 1.00 0.00 O ATOM 1462 CB GLU A 100 -7.529 -7.269 5.185 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.005 -7.670 5.386 1.00 0.00 C ATOM 1464 CD GLU A 100 -9.815 -7.870 4.101 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -9.642 -8.912 3.427 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -10.756 -7.076 3.864 1.00 0.00 O ATOM 1467 OXT GLU A 100 -8.349 -6.029 8.237 1.00 0.00 O ATOM 0 H GLU A 100 -5.125 -6.822 5.649 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.514 -5.335 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.409 -6.809 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.906 -8.163 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.037 -8.595 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.493 -6.903 5.987 1.00 0.00 H new